SCHEMBL2909428

SCHEMBL2909428

CNCCc1ccc(OC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.52
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
ATM Q13315 2/20 0.50
POLB P06746 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
THPO P40225 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42

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
SCHEMBL7855914 0.86 ADRB3 (0.46) ATMALDH1A1SMN1; SMN2KDM4EPPARA
SCHEMBL23474932 0.84 TAAR1 (0.47) TAAR1TMEM97SIGMAR1ATMPOLB
SCHEMBL22548723 0.83 ALDH1A1 (0.41) MAPTALDH1A1SMN1; SMN2KDM4EPPARA
SCHEMBL13070156 0.83 TAAR1 (0.55) TAAR1TMEM97SIGMAR1ATMPOLB
SCHEMBL23474876 0.81 ADRB3 (0.43) ATMALDH1A1SMN1; SMN2KDM4EPPARA
SCHEMBL507764 0.80 LOXL2 (0.45) CHRM2MAPTALDH1A1KDM4EPPARA
SCHEMBL197077 0.79 ELANE (0.50) TSHRMAPK1ALDH1A1PPARAPPARG
SCHEMBL2910918 0.79 CHRM2 (0.68) TAAR1ATMPOLBCHRM2CHRM1
SCHEMBL10156581 0.78 TAAR1 (0.76) TAAR1TMEM97SIGMAR1ATMPOLB
SCHEMBL91178 0.78 THRB (0.46) TAAR1ALDH1A1PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171554-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS TO TREAT MEDICAL DISORDERS G1 THERAPEUTICS, INC. (US) 2021-06-10 US disclosed
US-8394979-B2 Process for preparing cycloplatinated platinum complexes, platinum complexes prepared by this process and the use thereof RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2013-03-12 US disclosed
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2010-10-21 US disclosed
EP-2220100-A2 CHIRAL CYCLOPLATINIZED COMPLEXES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN MEDICINE AND CATALYSTS Rheinisch-Westfälisch-Technische Hochschule Aachen (DE) 2010-08-25 EP disclosed
WO-2009077462-A2 CHIRAL CYCLOPLATINIZED COMPLEXES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN MEDICINE AND CATALYSTS Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2009-06-25 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 (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-20210171554-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS TO TREAT MEDICAL DISORDERS CDK6, ESR1, CDK4 TAAR1 1867/4885TMEM97 2545/4885SIGMAR1 1635/4885
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF THPO, MCL1, PPOX TAAR1 4519/4885TMEM97 4433/4885SIGMAR1 4745/4885

“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.