SCHEMBL3821707

SCHEMBL3821707

CCCNc1ccc(OC)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
ALDH1A1 P00352 5/20 0.53
GAA P10253 5/20 0.53
KDM4E B2RXH2 4/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
GLA P06280 1/20 0.53
CASP1 P29466 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
POLB P06746 2/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL14059353 0.89 GAA (0.50) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL28103035 0.87 HTT (0.52) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL12963121 0.85 ICMT (0.45) MAPTKMT2AMEN1MAPK1LMNA
Hydrochloric Acid SCHEMBL10440705 0.84 HTT (0.54) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL423387 0.84 MAPT (0.56) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL30480119 0.84 MAPT (0.56) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL14180556 0.84 ALDH1A1 (0.49) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL15934274 0.84 TUBB4A (0.57) ALDH1A1GAAKMT2AMEN1CYP1A2
SCHEMBL9595593 0.83 HDAC3 (0.46) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL8348474 0.83 KDM4E (0.51) MAPTALDH1A1GAAKDM4EKMT2A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0857790-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUNDS KANEKA CORP (JP) 2005-08-17 EP claimed
US-20010031487-A1 Process for producing optically active amino compounds KANEKA CORPORATION 2001-10-18 US claimed
US-6221638-B1 BY STEREOSELECTIVELY CARRYING OUT AMINO GROUP TRANSFER BY ACTION OF AN (R)-FORM-SPECIFIC TRANSAMINASE IN THE CO-PRESENCE OF A KETONE (AMINO ACCEPTOR) AND AMINO COMPOUND (AMINO DONOR); YIELDS AMINO COMPOUNDS HAIVNG ARYL GROUP AT THE 1-POSITION KANEKA CORPORATION (JP) 2001-04-24 US claimed
EP-0857790-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUNDS KANEKA CORPORATION (JP) 1998-08-12 EP claimed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
EP-0987332-B1 DNA encoding a polypeptide having stereoselective transaminase activity, and transformants comprising said DNA KANEKA CORP (JP) 2009-08-19 EP disclosed
US-7569676-B2 Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2009-08-04 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
EP-1498415-B1 Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs ROCHE DIAGNOSTICS GMBH (DE) 2007-06-27 EP disclosed
US-20020192786-A1 Producing optically active amino compounds KANEKA CORPORATION 2002-12-19 US disclosed
US-20020132743-A1 Transparent bar soap composition P&PF CO., LTD. (JP) 2002-09-19 US disclosed
EP-1219701-A1 Transparent bar soap composition Shiseido Honecake Industry Co., Ltd. (JP) 2002-07-03 EP disclosed
US-6344351-B2 USING (R)-FORM-SPECIFIC TRANSAMINASE WITH KETONE AMINO ACCEPTOR AND AMINO DONOR; ANTIDIABETES AND ANTIOBESITY AGENTS KANEKA CORPORATION (JP) 2002-02-05 US disclosed
US-20010031487-A1 Process for producing optically active amino compounds KANEKA CORPORATION 2001-10-18 US disclosed
US-6221638-B1 BY STEREOSELECTIVELY CARRYING OUT AMINO GROUP TRANSFER BY ACTION OF AN (R)-FORM-SPECIFIC TRANSAMINASE IN THE CO-PRESENCE OF A KETONE (AMINO ACCEPTOR) AND AMINO COMPOUND (AMINO DONOR); YIELDS AMINO COMPOUNDS HAIVNG ARYL GROUP AT THE 1-POSITION KANEKA CORPORATION (JP) 2001-04-24 US disclosed
EP-0987332-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUNDS Kaneka Corporation (JP) 2000-03-22 EP disclosed
EP-0857790-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUNDS KANEKA CORPORATION (JP) 1998-08-12 EP 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 (3 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-20020132743-A1 Transparent bar soap composition SGMS1, PHOSPHO1, SGMS2 MAPT 3125/4885ALDH1A1 1921/4885GAA 2801/4885
US-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 MAPT 2110/4885ALDH1A1 796/4885GAA 210/4885
US-20020192786-A1 Producing optically active amino compounds TKT, GOT1, AADAT MAPT 3031/4885ALDH1A1 151/4885GAA 572/4885

“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.