SCHEMBL3609519

SCHEMBL3609519

[O]C(=O)C1C=Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
HTR6 P50406 1/20 0.36
CYP2D6 P10635 1/20 0.35
ATM Q13315 1/20 0.35
BRD4 O60885 1/20 0.33
CCL2 P13500 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
EDNRA P25101 1/20 0.31
CYP2C9 P11712 2/20 0.31
P2RX1 P51575 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX4 Q99571 1/20 0.31
P2RX7 Q99572 1/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 2/20 0.31

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
SCHEMBL9309445 0.85 HTR2A (0.38) HTR2AHTR6CYP2D6ATMBRD4
SCHEMBL31068436 0.85 HTR6 (0.41) HTR2AHTR6CYP2D6ATMBRD4
SCHEMBL31147849 0.83 HTR6 (0.40) HTR2AHTR6CYP2D6ATMBRD4
SCHEMBL29401941 0.83 EDNRA (0.39) HTR2AHTR6CYP2D6ATMBRD4
SCHEMBL63928 0.83 EDNRA (0.39) HTR2AHTR6CYP2D6ATMBRD4
SCHEMBL3246033 0.82 HTR2A (0.35) HTR2AHTR6CYP2D6ATMBRD4
SCHEMBL8378960 0.82 POLB (0.37) HTR2AHTR6CYP2D6ATMBRD4
SCHEMBL629577 0.82 POLB (0.36) HTR2AHTR6CYP2D6ATMBRD4
SCHEMBL3246036 0.82 ATM (0.40) HTR2AHTR6CYP2D6ATMBRD4
SCHEMBL8559334 0.82 HTR2A (0.35) HTR2AHTR6CYP2D6ATMBRD4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023127507-A1 POWDERED PIGMENT COMPOSITION, METHOD FOR PRODUCING POWDERED PIGMENT COMPOSITION, RESIN COMPOSITION, AND MOLDED BODY DIC株式会社 2023-07-06 WO disclosed
EP-3059288-B1 RESIN COMPOSITION AND MOLDED ARTICLE DAINIPPON INK & CHEMICALS (JP) 2021-12-22 EP disclosed
US-20210030895-A1 RESIN COMPOSITION AND MOLDED ARTICLE DIC CORPORATION (JP) 2021-02-04 US disclosed
US-20210024821-A1 RESIN COMPOSITION AND MOLDED ARTICLE DIC CORPORATION (JP) 2021-01-28 US disclosed
EP-3034580-B1 RESIN COMPOSITION AND MOLDED ARTICLE DAINIPPON INK & CHEMICALS (JP) 2020-04-29 EP disclosed
US-20160271273-A1 RESIN COMPOSITION AND MOLDED ARTICLE DIC CORPORATION (JP) 2016-09-22 US disclosed
EP-3059288-A1 RESIN COMPOSITION AND MOLDED ARTICLE DIC Corporation (JP) 2016-08-24 EP disclosed
US-20160200970-A1 RESIN COMPOSITION AND MOLDED ARTICLE NATIONAL UNIVERSITY CORPORATION KOCHI UNIVERSITY (JP) 2016-07-14 US disclosed
EP-3034580-A1 RESIN COMPOSITION AND MOLDED ARTICLE DIC Corporation (JP) 2016-06-22 EP disclosed
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
EP-2089395-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UnibioScreen S.A. (BE) 2009-08-19 EP disclosed
WO-2008043846-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2008-04-17 WO disclosed
US-7217723-B2 Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. EISAI CO., LTD. (JP) 2007-05-15 US disclosed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 HTR2A 4074/4885HTR6 2557/4885CYP2D6 575/4885
US-20160271273-A1 RESIN COMPOSITION AND MOLDED ARTICLE IK, CBR3, RER1 HTR2A 2384/4885HTR6 2544/4885CYP2D6 1189/4885
US-20210030895-A1 RESIN COMPOSITION AND MOLDED ARTICLE IK, CBR3, RER1 HTR2A 2384/4885HTR6 2544/4885CYP2D6 1189/4885
US-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 HTR2A 3002/4885HTR6 802/4885CYP2D6 326/4885

“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.