SCHEMBL436334

SCHEMBL436334

COc1ccc2oc(C)c(C)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.63
MAPT P10636 5/20 0.63
POLB P06746 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
ESR1 P03372 1/20 0.63
APEX1 P27695 1/20 0.63
ESR2 Q92731 1/20 0.63
KDM4E B2RXH2 5/20 0.59
ALDH1A1 P00352 5/20 0.59
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
HPGD P15428 3/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
HSD17B10 Q99714 3/20 0.57
GAA P10253 1/20 0.55
ATM Q13315 1/20 0.53
MAOA P21397 1/20 0.51

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
SCHEMBL8074385 0.85 MAPT (0.63) SMN1; SMN2MAPTPOLBTDP1ESR1
SCHEMBL18045173 0.81 ALDH1A1 (0.77) SMN1; SMN2MAPTPOLBKDM4EALDH1A1
SCHEMBL12301750 0.79 KDM4E (0.53) SMN1; SMN2MAPTPOLBTDP1ESR1
SCHEMBL14589130 0.79 PIM1 (0.47) SMN1; SMN2MAPTPOLBTDP1ESR1
SCHEMBL11465493 0.78 KDM4E (0.50) SMN1; SMN2MAPTPOLBTDP1ESR1
SCHEMBL717257 0.78 KDM4E (0.60) SMN1; SMN2MAPTPOLBTDP1ESR1
SCHEMBL1839725 0.76 POLB (0.76) SMN1; SMN2POLBTDP1KDM4EALDH1A1
SCHEMBL9119618 0.76 SMN1; SMN2 (0.55) SMN1; SMN2MAPTPOLBTDP1ESR1
SCHEMBL17838376 0.76 ALDH1A1 (0.58) SMN1; SMN2MAPTPOLBTDP1ESR1
SCHEMBL4763073 0.76 KDM4E (0.78) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A

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
WO-2024059951-A1 INHIBITORS OF THE ANDROGEN RECEPTOR DNA-BINDING DOMAIN THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-03-28 WO disclosed
US-9617255-B2 Organic electroluminescent element, and illumination device and display device each comprising the element Konica Minolta, Inc. (JP) 2017-04-11 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-8852757-B2 Organic electroluminescence element, lighting device and display device KONICA MINOLTA HOLDINGS, INC. (JP) 2014-10-07 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-13 US disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 WO disclosed
US-20100045171-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, LIGHTING DEVICE AND DISPLAY DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2010-02-25 US disclosed
EP-1373233-B1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-09-05 EP disclosed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 US disclosed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 US 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 (2 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-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME AOC2, AOC3, CDYL SMN1; SMN2 4070/4885MAPT 4583/4885POLB 3643/4885
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH SMN1; SMN2 3455/4885MAPT 4550/4885POLB 4094/4885

“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.