SCHEMBL825667

SCHEMBL825667

Cc1ccc2sc3cc4c(cc3c2c1)sc1ccc(C)cc14

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.39
IDO1 P14902 2/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
CYP1A2 P05177 3/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 4/20 0.37
USP2 O75604 1/20 0.37
THRB P10828 1/20 0.37
RAB9A P51151 2/20 0.36
GPR3 P46089 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 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
SCHEMBL1609993 0.95 CYP2A6 (0.42) CYP2A6IDO1BCL2L1MCL1CYP1A2
SCHEMBL22738447 0.93 BCL2L1 (0.43) CYP2A6IDO1BCL2L1MCL1CYP1A2
SCHEMBL22738420 0.93 CYP2A6 (0.38) CYP2A6IDO1BCL2L1MCL1CYP1A2
SCHEMBL10068340 0.91 BCL2L1 (0.44) CYP2A6IDO1BCL2L1MCL1CYP1A2
SCHEMBL15785768 0.89 GPR3 (0.56) CYP1A2ALDH1A1HPGDKDM4EPOLB
SCHEMBL862260 0.89 CYP2A6 (0.38) CYP2A6IDO1BCL2L1MCL1CYP1A2
SCHEMBL29735438 0.89 CYP2A6 (0.38) CYP2A6IDO1BCL2L1MCL1CYP1A2
SCHEMBL10133869 0.86 MAPT (0.40) CYP2A6IDO1CYP1A2ALDH1A1HPGD
SCHEMBL753610 0.86 PIM1 (0.40) CYP2A6IDO1BCL2L1MCL1CYP1A2
SCHEMBL12109032 0.85 BCL2L1 (0.47) CYP2A6BCL2L1MCL1CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020241730-A1 ARYLAMINE COMPOUND AND USE THEREOF 日産化学株式会社 2020-12-03 WO disclosed
EP-2588527-B1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) NISSAN CHEMICAL IND LTD (JP) 2017-10-25 EP disclosed
US-20170186953-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-29 US disclosed
US-20170186953-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-29 US disclosed
US-9577194-B2 Hole transport compositions and related devices and methods (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-02-21 US disclosed
US-9577194-B2 Hole transport compositions and related devices and methods (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-02-21 US disclosed
US-8815639-B2 Hole transport compositions and related devices and methods (II) SOLVAY USA, INC. (US) 2014-08-26 US disclosed
US-8815639-B2 Hole transport compositions and related devices and methods (II) SOLVAY USA, INC. (US) 2014-08-26 US disclosed
US-8535974-B2 Hole transport compositions and related devices and methods (II) PLEXTRONICS, INC. (US) 2013-09-17 US disclosed
US-8535974-B2 Hole transport compositions and related devices and methods (II) PLEXTRONICS, INC. (US) 2013-09-17 US disclosed
US-20120003790-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AMD METHODS (II) PLEXTRONICS, INC. 2012-01-05 US disclosed
US-20120003790-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AMD METHODS (II) PLEXTRONICS, INC. 2012-01-05 US disclosed
US-20120001127-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) PLEXTRONICS, INC. 2012-01-05 US disclosed
US-20120001127-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) PLEXTRONICS, INC. 2012-01-05 US disclosed
WO-2012003485-A2 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) PLEXTRONICS, INC. (US) 2012-01-05 WO disclosed
WO-2012003482-A2 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (II) PLEXTRONICS, INC. (US) 2012-01-05 WO 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-20120001127-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) OCIAD2, OCIAD1, SLCO1B1 CYP2A6 955/4885IDO1 157/4885BCL2L1 1924/4885

“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.