SCHEMBL4933019

SCHEMBL4933019

CCC(=O)c1cc(C)c(Cl)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.51
HSP90AB1 P08238 1/20 0.50
HPGD P15428 3/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CA9 Q16790 2/20 0.43
ALOX15 P16050 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
CYP3A4 P08684 1/20 0.41
PTGS1 P23219 1/20 0.41
DRD3 P35462 1/20 0.41
LMNA P02545 4/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 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
SCHEMBL4936413 0.93 HMGCR (0.51) HMGCRHSP90AB1HPGDTSHRALDH1A1
SCHEMBL28113527 0.86 HMGCR (0.56) HMGCRHSP90AB1HPGDTSHRALDH1A1
SCHEMBL4841923 0.84 HMGCR (0.58) HMGCRHSP90AB1HPGDTSHRALDH1A1
SCHEMBL15364117 0.81 HMGCR (0.55) HMGCRHSP90AB1HPGDTSHRALDH1A1
SCHEMBL8547285 0.80 KDM4E (0.42) HMGCRHSP90AB1TSHRALDH1A1HSD17B10
SCHEMBL22804304 0.80 HMGCR (0.50) HMGCRHSP90AB1HPGDTSHRALDH1A1
SCHEMBL29368970 0.80 HMGCR (0.50) HMGCRHSP90AB1HPGDTSHRALDH1A1
SCHEMBL7171606 0.79 CA1 (0.53) HPGDTSHRALDH1A1HSD17B10CA9
SCHEMBL3892816 0.79 HTT (0.47) HPGDALDH1A1CA9POLBMEN1
SCHEMBL19425899 0.79 HSP90AB1 (0.50) HMGCRHSP90AB1HPGDTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
WO-2008039418-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-04-03 WO disclosed
US-20080051430-A1 Acylated Piperidine Derivatives as Melanocortin 4-Receptor Agonists MERCK & CO., INC. 2008-02-28 US disclosed
US-20080051430-A1 Acylated Piperidine Derivatives as Melanocortin 4-Receptor Agonists MERCK & CO., INC. 2008-02-28 US disclosed
US-20080051430-A1 Acylated Piperidine Derivatives as Melanocortin 4-Receptor Agonists MERCK & CO., INC. 2008-02-28 US disclosed
EP-1773347-A4 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2007-09-05 EP disclosed
EP-1773347-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2007-04-18 EP disclosed
WO-2006019787-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2006-02-23 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-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R HMGCR 2398/4885HSP90AB1 2385/4885HPGD 1646/4885
US-20080051430-A1 Acylated Piperidine Derivatives as Melanocortin 4-Receptor Agonists MC4R, MC5R, MC3R HMGCR 3752/4885HSP90AB1 3161/4885HPGD 2385/4885

“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.