SCHEMBL7182235

SCHEMBL7182235

CC(C)c1ccc(C(C)NCc2ccc(O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
IDO1 P14902 2/20 0.47
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
ADRB2 P07550 3/20 0.45
LMNA P02545 2/20 0.45
HIF1A Q16665 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
OPRM1 P35372 2/20 0.45
CYP2D6 P10635 1/20 0.45
GALR3 O60755 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRK1 P41145 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL7181266 0.88 SMN1; SMN2 (0.68) SMN1; SMN2ESR1ESR2MEN1KMT2A
SCHEMBL9085314 0.88 SMN1; SMN2 (0.68) SMN1; SMN2ESR1ESR2MEN1KMT2A
SCHEMBL9087363 0.86 AGER (0.53) SMN1; SMN2ESR1ESR2ADRB2LMNA
SCHEMBL7183961 0.86 AGER (0.53) SMN1; SMN2ESR1ESR2ADRB2LMNA
SCHEMBL9089267 0.86 SMN1; SMN2 (0.70) SMN1; SMN2MEN1KMT2ALMNASLC6A2
SCHEMBL580415 0.86 POLB (0.60) SMN1; SMN2MEN1KMT2AADRB2LMNA
SCHEMBL4424042 0.86 SMN1; SMN2 (0.70) SMN1; SMN2MEN1KMT2ALMNASLC6A2
SCHEMBL7176489 0.86 SMN1; SMN2 (0.70) SMN1; SMN2MEN1KMT2ALMNASLC6A2
SCHEMBL7181502 0.83 CASR (0.62) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL7178764 0.80 L3MBTL1 (0.51) SMN1; SMN2IDO1MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510519-A OPTICAL RESOLUTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-23 US claimed
EP-0508307-B1 Optically active secondary amine compound; process for producing optically active secondary amine compound and process for producing optically active carboxylic acid by using said compound SUMITOMO CHEMICAL CO (JP) 1995-11-29 EP claimed
US-5298660-A Compound containing an assymetrical carbon atom SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-03-29 US claimed
EP-0508307-A2 Optically active secondary amine compound; process for producing optically active secondary amine compound and process for producing optically active carboxylic acid by using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-10-14 EP claimed
EP-0933349-B1 Method for producing optically active chrysanthemic acid SUMITOMO CHEMICAL CO (JP) 2003-04-09 EP disclosed
US-20020123645-A1 Method for producing optically active chrysanthemic acid SUMITOMO CHEMICAL COMPANY, LIMITED 2002-09-05 US disclosed
EP-1236708-A1 Method for producing optically active chrysanthemic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-09-04 EP disclosed
US-6268525-B1 REACTING CHRYSANTHEMIC ACID HAVING TRANS ISOMER WITH OPTICALLY ACTIVE AMINE TO OPTICALLY RESOLVE CHRYSANTHEMIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-07-31 US disclosed
EP-0933349-A1 Method for producing optically active chrysanthemic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-08-04 EP disclosed
US-5510519-A OPTICAL RESOLUTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-23 US disclosed
EP-0508307-B1 Optically active secondary amine compound; process for producing optically active secondary amine compound and process for producing optically active carboxylic acid by using said compound SUMITOMO CHEMICAL CO (JP) 1995-11-29 EP disclosed
US-5298660-A Compound containing an assymetrical carbon atom SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-03-29 US disclosed
EP-0508307-A2 Optically active secondary amine compound; process for producing optically active secondary amine compound and process for producing optically active carboxylic acid by using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-10-14 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 (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-20020123645-A1 Method for producing optically active chrysanthemic acid ENO1, CYP8B1, CRYAA SMN1; SMN2 3784/4885IDO1 2938/4885ESR1 733/4885

“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.