SCHEMBL7009768

SCHEMBL7009768

CC(c1ccccc1)c1ccc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.46
COMT P21964 3/20 0.36
TYR P14679 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
KMT2A Q03164 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
CYP2D6 P10635 1/20 0.34
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX5 P09917 1/20 0.33

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
SCHEMBL456256 0.84 DAO (0.32) DAO
SCHEMBL7470990 0.82 AURKA (0.32) DAOKMT2AADRA2AADRA2C
SCHEMBL18966703 0.82 SLC6A2 (0.42) DAOADRA2AADRA2CCYP2D6
SCHEMBL10537577 0.82 DAO (0.32) DAO
SCHEMBL17448253 0.79 TAAR1 (0.35) DAOTAAR1ADRA2AADRA2CCYP2D6
SCHEMBL270836 0.77 SLC6A2 (0.44) KMT2A
SCHEMBL5865581 0.77 KMT2A (0.47) KMT2A
SCHEMBL9290918 0.76 DAO (0.53) DAOCOMTTYRKMT2AADRA2A
SCHEMBL11293327 0.76 KDM4E (0.47) KMT2AADRA2AADRA2CCYP2D6LMNA
SCHEMBL7467600 0.76 L3MBTL1 (0.46) KMT2ALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2017-06-15 US disclosed
US-20170157135-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2017-06-08 US disclosed
US-20170158636-A1 FUNCTIONALISED AND SUBSTITUTED CARBAZOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2017-06-08 US disclosed
US-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2017-06-01 US disclosed
WO-2016008010-A1 FUNCTIONALISED AND SUBSTITUTED CARBAZOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2016-01-21 WO disclosed
WO-2016008011-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2016-01-21 WO disclosed
EP-1246623-A4 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI PHARM INC (US) 2003-05-14 EP disclosed
EP-1246623-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1, A2A, AND A3 RECEPTOR AND USES THEREOF OSI Pharmaceuticals, Inc. (US) 2002-10-09 EP disclosed
WO-2001039777-A1 COMPOUNDS SPECIFIC TO ADENOSINE A1 A2A, AND A3 RECEPTORS AND USES THEREOF OSI PHARMACEUTICALS, INC. (US) 2001-06-07 WO disclosed
EP-0611301-A1 CHELATOR COMPOSITIONS COMPRISING OXIME COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1994-08-24 EP disclosed
EP-0611301-A4 CHELATOR COMPOSITIONS COMPRISING OXIME COMPOUNDS. PROCTER & GAMBLE (US) 1993-03-01 EP disclosed
WO-1991016034-A1 CHELATOR COMPOSITIONS COMPRISING OXIME COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1991-10-31 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 (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-20170158636-A1 FUNCTIONALISED AND SUBSTITUTED CARBAZOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 DAO 3155/4885COMT 1551/4885TYR 408/4885
US-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 DAO 2339/4885COMT 303/4885TYR 82/4885
US-20170157135-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 DAO 2339/4885COMT 303/4885TYR 82/4885
US-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 DAO 2132/4885COMT 269/4885TYR 77/4885

“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.