SCHEMBL498496

SCHEMBL498496

COc1cc(OC)cc(C2=C3C=CC(=N3)C(c3cc(OC)cc(OC)c3)=C3C=CC(=N3)C(c3cc(OC)cc(OC)c3)=C3C=CC(=N3)C(c3cc(OC)cc(OC)c3)=C3C=CC2=N3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 8/20 0.42
▸ CYP1A1 P04798 7/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2E1 P05181 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2C8 P10632 3/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ CYP2A6 P11509 3/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ CYP4B1 P13584 3/20 0.39
▸ CYP2B6 P20813 3/20 0.39
▸ CYP3A5 P20815 3/20 0.39
▸ CYP2A7 P20853 3/20 0.39
▸ CYP3A7 P24462 3/20 0.39
▸ CYP2F1 P24903 3/20 0.39
▸ CYP2C18 P33260 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CYP2J2 P51589 3/20 0.39
▸ CYP4F2 P78329 3/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7261654 0.87 CYP19A1 (0.41) CYP1B1CYP1A1ALDH1A1CYP1A2CYP2E1
SCHEMBL5015257 0.84 CYP1A1 (0.39) CYP1B1CYP1A1ALDH1A1CYP1A2CYP2E1
SCHEMBL6804334 0.83 CYP1A1 (0.33) CYP1B1CYP1A1ALDH1A1CYP1A2CYP2E1
SCHEMBL433808 0.82 DYRK1A (0.49) CYP1B1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL1680192 0.81 ME2 (0.43) ALDH1A1MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL7265162 0.80 SMN1; SMN2 (0.46) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL5534014 0.79 ME2 (0.42) ALDH1A1CYP3A4MAPTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL15769036 0.78 ME2 (0.41) ALDH1A1CYP3A4MAPTSMN1; SMN2KDM4E
SCHEMBL4265254 0.78 CYP1A2 (0.41) CYP1B1CYP1A1ALDH1A1CYP1A2CYP2E1
SCHEMBL17687649 0.75 DYRK1A (0.42) CYP1B1CYP1A1CYP1A2CYP2E1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9867800-B2 Method of quenching singlet and triplet excited states of pigments, such as porphyrin compounds, particularly protoporphyrin IX, with conjugated fused tricyclic compounds have electron withdrawing groups, to reduce generation of reactive oxygen species, particularly singlet oxygen HALLSTAR INNOVATIONS CORP. (US) 2018-01-16 — — US claimed
US-20150164852-A1 METHOD OF QUENCHING SINGLET AND TRIPLET EXCITED STATES OF PIGMENTS, SUCH AS PORPHYRIN COMPOUNDS, PARTICULARLY PROTOPORPHYRIN IX, WITH CONJUGATED FUSED TRICYCLIC COMPOUNDS HAVE ELECTRON WITHDRAWING GROUPS, TO REDUCE GENERATION OF REACTIVE OXYGEN SPECIES, PARTICULARLY SINGLET OXYGEN HALLSTAR INNOVATIONS CORP. (US) 2015-06-18 — — US claimed
WO-2014025370-A1 TRICYCLIC ENERGY QUENCHER COMPOUNDS FOR REDUCING SINGLET OXYGEN GENERATION HALLSTAR INNOVATIONS CORP. (US) 2014-02-13 — — WO claimed
US-11935803-B2 Resin composition, laminate, semiconductor wafer with resin composition layer, substrate for mounting semiconductor with resin composition layer and semiconductor device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-03-19 — — US disclosed
US-20230226544-A1 ION-SELECTIVE MEMBRANE, ION-SELECTIVE ELECTRODE, ION SENSOR, SPECIMEN TESTING DEVICE, AND COMPLEX COMPOUND CANON KABUSHIKI KAISHA (JP) 2023-07-20 — — US disclosed
US-11697737-B2 Color material dispersion liquid, composition, film, optical filter and display device DAI NIPPON PRINTING CO., LTD. (JP) 2023-07-11 — — US disclosed
US-20230094496-A1 COLOR MATERIAL DISPERSION LIQUID, COMPOSITION, FILM, OPTICAL FILTER AND DISPLAY DEVICE DAI NIPPON PRINTING CO., LTD. (JP) 2023-03-30 — — US disclosed
US-11518888-B2 Color material dispersion liquid, composition, film, optical filter and display device DAI NIPPON PRINTING CO., LTD. (JP) 2022-12-06 — — US disclosed
EP-3077467-B1 DRIER COMPOSITION AND USE THEREOF PPG EUROPE B V (NL) 2022-11-02 — — EP disclosed
US-20210277221-A1 RESIN COMPOSITION, LAMINATE, SEMICONDUCTOR WAFER WITH RESIN COMPOSITION LAYER, SUBSTRATE FOR MOUNTING SEMICONDUCTOR WITH RESIN COMPOSITION LAYER AND SEMICONDUCTOR DEVICE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-09-09 — — US disclosed
US-20210189137-A1 COLOR MATERIAL DISPERSION LIQUID, COMPOSITION, FILM, OPTICAL FILTER AND DISPLAY DEVICE DAI NIPPON PRINTING CO., LTD. (JP) 2021-06-24 — — US disclosed
US-20110092961-A1 Artificial cells SEARETE LLC 2011-04-21 — — US disclosed
US-20110070153-A1 Artificial cells SEARETE, LLC, A LIMITED LIABILITY CORPORATION OF THE STATE OF DELAWARE 2011-03-24 — — US disclosed
US-20110070154-A1 Artificial cells SEARETE LLC 2011-03-24 — — US disclosed
US-20100247447-A1 DRUG DELIVERY SYSTEM FOR HYDROPHOBIC DRUGS BAUSCH HEALTH COMPANIES INC. (CA) 2010-09-30 — — US disclosed
US-20100041133-A1 Biological targeting compositions and methods of using the same SEARETE LLC, A LIMITED LIABILITY CORPORATION OF THE STATE OF DELAWARE 2010-02-18 — — US disclosed
US-20100042072-A1 Biological targeting compositions and methods of using the same SEARETE LLC, A LIMITED LIABILITY CORPORATION OF THE STATE OF DELAWARE 2010-02-18 — — US disclosed
US-20100041014-A1 Biological targeting compositions and methods of using the same ENTERPRISE SCIENCE FUND, LLC 2010-02-18 — — US disclosed
US-20070086973-A1 Drug delivery systems for photodynamic therapy THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2007-04-19 — — US disclosed
US-6609014-B1 Use of PDT to inhibit intimal hyperplasia QLT INC. (CA) 2003-08-19 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070086973-A1 Drug delivery systems for photodynamic therapy PIN1, PPOX, DHFR CYP1B1 173/4885CYP1A1 429/4885ALDH1A1 701/4885
US-20100247447-A1 DRUG DELIVERY SYSTEM FOR HYDROPHOBIC DRUGS LIPA, MLEC, ABCG2 CYP1B1 2812/4885CYP1A1 2331/4885ALDH1A1 2604/4885
US-20230226544-A1 ION-SELECTIVE MEMBRANE, ION-SELECTIVE ELECTRODE, ION SENSOR, SPECIMEN TESTING DEVICE, AND COMPLEX COMPOUND LETM1, TIMM9, TMEM109 CYP1B1 4097/4885CYP1A1 3029/4885ALDH1A1 2587/4885
US-20150164852-A1 METHOD OF QUENCHING SINGLET AND TRIPLET EXCITED STATES OF PIGMENTS, SUCH AS PORPHYRIN COMPOUNDS, PARTICULARLY PROTOPORPHYRIN IX, WITH CONJUGATED FUSED TRICYCLIC COMPOUNDS HAVE ELECTRON WITHDRAWING GROUPS, TO REDUCE GENERATION OF REACTIVE OXYGEN SPECIES, PARTICULARLY SINGLET OXYGEN NOX3, CBR3, CCR3 CYP1B1 693/4885CYP1A1 690/4885ALDH1A1 2828/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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