SCHEMBL17532764

SCHEMBL17532764

Cc1cc2ccc3nc(C)ccc3c2c(C)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.46
▸ LMNA P02545 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ NCF1 P14598 1/20 0.38
▸ CASP1 P29466 2/20 0.37
▸ CASP7 P55210 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CCR1 P32246 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ NR4A2 P43354 1/20 0.35

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
SCHEMBL17532780 0.79 KDM4E (0.40) CYP1A2LMNAPOLBKDM4EALDH1A1
SCHEMBL17532773 0.77 CYP3A4 (0.49) CYP1A2LMNAPOLBKDM4EALDH1A1
SCHEMBL17532793 0.77 KDM4E (0.42) CYP1A2LMNAPOLBKDM4ECASP6
SCHEMBL17532772 0.76 CYP1A2 (0.40) CYP1A2LMNAPOLBKDM4ECASP6
SCHEMBL8571925 0.75 ALDH1A1 (0.53) CYP1A2LMNAPOLBKDM4ECASP6
SCHEMBL17532746 0.75 CCR1 (0.56) CYP1A2LMNAPOLBKDM4ECASP6
SCHEMBL17532717 0.74 POLB (0.47) CYP1A2LMNAPOLBKDM4ECASP6
SCHEMBL17532735 0.73 KDM4E (0.50) CYP1A2LMNAKDM4EALDH1A1NCF1
SCHEMBL17532775 0.73 CYP2A6 (0.40) CYP1A2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL17532790 0.72 CYP1A2 (0.44) CYP1A2LMNAKDM4EHTTCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9780310-B2 Heterocyclic compound for organic electroluminescent device and its application TOSOH CORPORATION (JP) 2017-10-03 — — US disclosed
US-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION TOSOH CORPORATION (JP) 2016-02-25 — — 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 (1 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-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION AOC2, AZI2, KCNH2 CYP1A2 978/4885LMNA 2238/4885POLB 2634/4885

“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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