SCHEMBL3585587

SCHEMBL3585587

CCOC(=O)c1ccccc1C1CCC(=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 4/20 0.49
KDM4E B2RXH2 3/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
POLB P06746 1/20 0.44
CNR2 P34972 1/20 0.44
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
HPGD P15428 2/20 0.43
CYP2D6 P10635 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL13163361 0.92 TSHR (0.53) TSHRALDH1A1HSD17B10KDM4ECA1
SCHEMBL16752384 0.90 TSHR (0.65) TSHRALDH1A1HSD17B10KDM4ECA1
SCHEMBL15019745 0.87 TSHR (0.61) TSHRALDH1A1HSD17B10KDM4ECA1
SCHEMBL28566543 0.85 TSHR (0.59) TSHRALDH1A1HSD17B10KDM4ECA1
SCHEMBL1790478 0.85 TSHR (0.59) TSHRALDH1A1HSD17B10KDM4ECA1
SCHEMBL32662611 0.84 TSHR (0.46) TSHRALDH1A1HSD17B10KDM4EPOLB
SCHEMBL27264997 0.84 TSHR (0.46) TSHRALDH1A1HSD17B10KDM4EPOLB
SCHEMBL3676421 0.83 TSHR (0.56) TSHRALDH1A1HSD17B10CA1CA2
SCHEMBL5386421 0.82 TSHR (0.62) TSHRALDH1A1HSD17B10KDM4ECA1
SCHEMBL8727691 0.81 TSHR (0.53) TSHRALDH1A1HSD17B10KDM4ECA1

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-20100075986-A1 Oxophenyl-Cyclohexyl-Propanolamine Derivatives, Production And Use Thereof In Therapeutics SANOFI-AVENTIS (FR) 2010-03-25 US disclosed
US-7625929-B2 Oxophenyl-cyclohexyl-propanolamine derivatives, production and use thereof in therapeutics SANOFI-AVENTIS (FR) 2009-12-01 US disclosed
US-7453010-B2 Phenylcyclohexylpropanolamine derivatives, preparation and therapeutic application thereof SANOFI AVENTIS (FR) 2008-11-18 US disclosed
US-20060100283-A1 Phenylcyclohexylpropanolamine derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2006-05-11 US disclosed
US-20050176731-A1 Oxophenyl-cyclohexyl-propanolamine derivatives, production and use therof in therapeutics SANOFI-AVENTIS (FR) 2005-08-11 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 (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-20060100283-A1 Phenylcyclohexylpropanolamine derivatives, preparation and therapeutic application thereof CHRM1, CHRM2, C1R TSHR 177/4885ALDH1A1 1769/4885HSD17B10 562/4885
US-20100075986-A1 Oxophenyl-Cyclohexyl-Propanolamine Derivatives, Production And Use Thereof In Therapeutics HRH4, HRH3, AOC3 TSHR 317/4885ALDH1A1 2106/4885HSD17B10 1720/4885
US-20050176731-A1 Oxophenyl-cyclohexyl-propanolamine derivatives, production and use therof in therapeutics HRH4, HRH3, HTR3C TSHR 317/4885ALDH1A1 2731/4885HSD17B10 2600/4885

“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.