SCHEMBL147185

SCHEMBL147185

CCOc1ccccc1C(C)N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
L3MBTL1 Q9Y468 7/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GLA P06280 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.43
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPRC P08575 1/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
ADRA2A P08913 1/20 0.40

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
Hydrochloric Acid SCHEMBL21879697 0.85 CYP1A2 (0.44) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL5050115 0.85 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL7779145 0.85 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL19665122 0.85 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL24499216 0.84 ALDH1A1 (0.38) ALDH1A1L3MBTL1GLAKDM4EKMT2A
Hydrochloric Acid SCHEMBL17871947 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTNPSR1GLA
Hydrochloric Acid SCHEMBL9869331 0.83 ALDH1A1 (0.49) ALDH1A1L3MBTL1GLACTDSP1KDM4E
SCHEMBL12261507 0.83 ALDH1A1 (0.55) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL254754 0.83 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL29138032 0.82 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPTNPSR1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130143824-A1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH, INC. (US) 2013-06-06 US claimed
US-20120058953-A1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH, INC. (US) 2012-03-08 US claimed
US-20110039324-A1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH, INC. (US) 2011-02-17 US claimed
US-20090148921-A1 Compositions and methods for enhancing apoptosis GENENTECH, INC. (US) 2009-06-11 US claimed
EP-1590666-B1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH INC (US) 2008-07-09 EP claimed
EP-1590666-A4 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH INC (US) 2006-07-26 EP claimed
EP-1590666-A1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS Genentech, Inc. (US) 2005-11-02 EP claimed
US-20040171554-A1 Compositions and methods for enhancing apoptosis GENENTECH, INC. 2004-09-02 US claimed
WO-2004072641-A1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH, INC. (US) 2004-08-26 WO claimed
US-10696690-B2 Imidazo-oxadiazole and imidazo-thiadiazole derivatives ARES TRADING S.A. (CH) 2020-06-30 US disclosed
US-20180215770-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES ARES TRADING SA (CH) 2018-08-02 US disclosed
US-9932354-B2 Imidazo-oxadiazole and imidazo-thiadiazole derivatives ARES TRADING S.A. (CH) 2018-04-03 US disclosed
EP-2855488-B1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES ARES TRADING SA (CH) 2016-04-13 EP disclosed
US-20150175628-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-25 US disclosed
US-6894190-B2 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 US disclosed
US-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2003-12-18 US disclosed
US-6653507-B2 Useful intermediate compound of pharmaceuticals for urinary incontinence SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-11-25 US disclosed
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2002-10-03 US disclosed
US-6403832-B1 MIXING ACID WITH AMINE, PRECIPITATING SALT, AND FILTERING; GOOD OPTICAL PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-11 US disclosed
EP-1074539-A2 Process for producing optically active 3,3,3,-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-07 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 (5 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-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, CYP8B1, CYP11B2 ALDH1A1 141/4885L3MBTL1 4870/4885MAPT 3372/4885
US-20180215770-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES APP, BACE1, PSEN1 ALDH1A1 1206/4885L3MBTL1 3301/4885MAPT 6/4885
US-20150175628-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES APP, BACE1, PSEN1 ALDH1A1 1206/4885L3MBTL1 3301/4885MAPT 6/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 ALDH1A1 73/4885L3MBTL1 4844/4885MAPT 3126/4885
US-10696690-B2 Imidazo-oxadiazole and imidazo-thiadiazole derivatives APP, BACE1, PSEN1 ALDH1A1 1206/4885L3MBTL1 3301/4885MAPT 6/4885

“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.