SCHEMBL14099589

SCHEMBL14099589

Cc1c2ccccc2c(C)c2cc(Cl)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.47
▸ CASP1 P29466 2/20 0.43
▸ CASP7 P55210 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP2A6 P11509 2/20 0.41
▸ HCRTR1 O43613 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8781326 0.81 ALDH1A1 (0.50) AHRCASP1CASP7CYP3A4HPGD
SCHEMBL21764494 0.79 AHR (0.54) AHRHPGDTSHRKDM4ECYP2A6
SCHEMBL19977161 0.79 AHR (0.54) AHRHPGDTSHRKDM4ECYP2A6
SCHEMBL9174497 0.79 AHR (0.54) AHRHPGDTSHRKDM4ECYP2A6
SCHEMBL18517084 0.79 CYP2A6 (0.50) AHRCASP1CASP7CYP3A4HPGD
SCHEMBL16837439 0.78 DPP4 (0.47) KDM4EDPP4
SCHEMBL16837433 0.77 FABP3 (0.44) HPGDMAPK1KDM4EDPP4CYP1A2
SCHEMBL377040 0.76 CYP1A2 (0.56) AHRCASP1CASP7CYP3A4HPGD
SCHEMBL14951901 0.76 MAOA (0.55) HPGDL3MBTL1KDM4EMAPTLMNA
SCHEMBL29379467 0.76 CYP1A2 (0.56) AHRCASP1CASP7CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10564164-B2 Fluorescent probe, singlet oxygen detection agent, and singlet oxygen detection method OSAKA UNIVERSITY (JP) 2020-02-18 — — US disclosed
US-20170363636-A1 Fluorescent Probe, Singlet Oxygen Detection Agent, and Singlet Oxygen Detection Method OSAKA UNIVERSITY (JP) 2017-12-21 — — US disclosed
US-20170363636-A1 Fluorescent Probe, Singlet Oxygen Detection Agent, and Singlet Oxygen Detection Method OSAKA UNIVERSITY (JP) 2017-12-21 — — US disclosed
US-9620721-B2 OLEDs having high efficiency and excellent lifetime GLOBAL OLED TECHNOLOGY LLC (US) 2017-04-11 — — US disclosed
US-8795855-B2 OLEDs having high efficiency and excellent lifetime GLOBAL OLED TECHNOLOGY LLC (US) 2014-08-05 — — US disclosed
US-20140151676-A1 OLEDS HAVING HIGH EFFICIENCY AND EXCELLENT LIFETIME GLOBAL OLED TECHNOLOGY LLC (US) 2014-06-05 — — US disclosed
US-20080182129-A1 OLEDS HAVING HIGH EFFICIENCY AND EXCELLENT LIFETIME GLOBAL OLED TECHNOLOGY LLC 2008-07-31 — — US disclosed
US-7326371-B2 Electroluminescent device with anthracene derivative host EASTMAN KODAK COMPANY (US) 2008-02-05 — — 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 (2 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-10564164-B2 Fluorescent probe, singlet oxygen detection agent, and singlet oxygen detection method SLCO2A1, SORD, PPOX AHR 635/4885CASP1 140/4885CASP7 47/4885
US-20170363636-A1 Fluorescent Probe, Singlet Oxygen Detection Agent, and Singlet Oxygen Detection Method SLCO2A1, SORD, PPOX AHR 635/4885CASP1 140/4885CASP7 47/4885

“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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