SCHEMBL4841923

SCHEMBL4841923

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.58
HSP90AB1 P08238 1/20 0.57
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 3/20 0.48
ALOX15 P16050 2/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA9 Q16790 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
PTGS1 P23219 1/20 0.47
DRD3 P35462 1/20 0.47
KMT2A Q03164 1/20 0.47
SHBG P04278 1/20 0.44
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
UBE2N P61088 1/20 0.41

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
SCHEMBL28048673 0.85 HSP90AB1 (0.50) HMGCRHSP90AB1ALDH1A1HSD17B10ALOX15
SCHEMBL4936413 0.84 HMGCR (0.51) HMGCRHSP90AB1ALDH1A1HSD17B10ALOX15
SCHEMBL4933019 0.84 HMGCR (0.51) HMGCRHSP90AB1ALDH1A1HSD17B10ALOX15
SCHEMBL27757665 0.84 HMGCR (0.51) HMGCRHSP90AB1ALDH1A1HSD17B10ALOX15
SCHEMBL13284210 0.83 HSP90AB1 (0.52) HMGCRHSP90AB1ALDH1A1HSD17B10ALOX15
SCHEMBL7953584 0.82 HSP90AB1 (0.45) HMGCRHSP90AB1ALDH1A1HSD17B10ALOX15
SCHEMBL2988486 0.82 ALOX15 (0.69) HMGCRHSP90AB1ALDH1A1HSD17B10ALOX15
SCHEMBL24413663 0.81 PKM (0.53) HMGCRHSP90AB1ALDH1A1HSD17B10ALOX15
SCHEMBL10518482 0.77 HSP90AB1 (0.41) HMGCRHSP90AB1ALDH1A1HSD17B10HPGD
SCHEMBL8895485 0.77 MAPT (0.60) HMGCRHSP90AB1ALDH1A1HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419990-B2 Piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-09-02 US disclosed
US-7419990-B2 Piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-09-02 US disclosed
US-7419990-B2 Piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-09-02 US disclosed
US-20060128963-A1 Piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2006-06-15 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 (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-20060128963-A1 Piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC1R HMGCR 4586/4885HSP90AB1 2404/4885ALDH1A1 2981/4885

“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.