SCHEMBL4497378

SCHEMBL4497378

COc1ccc2c(c1C)CCC2CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.51
KDM4C Q9H3R0 2/20 0.48
KDM6B O15054 1/20 0.48
PPARA Q07869 7/20 0.47
FFAR1 O14842 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 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
SCHEMBL3957347 1.00 PPARD (0.51) PPARDKDM4CKDM6BPPARAFFAR1
SCHEMBL27669768 0.88 KDM4C (0.47) PPARDKDM4CKDM6BMTNR1AMTNR1B
SCHEMBL27669766 0.88 KDM4C (0.47) PPARDKDM4CKDM6BMTNR1AMTNR1B
SCHEMBL4496501 0.81 DRD2 (0.45) PPARDPPARA
SCHEMBL3949854 0.81 DRD2 (0.45) PPARDPPARA
SCHEMBL4493978 0.81 ADRA2A (0.47) PPARDPPARAFFAR1
SCHEMBL3952620 0.81 ADRA2A (0.47) PPARDPPARAFFAR1
SCHEMBL4506871 0.80 PPARD (0.43) PPARDKDM4CKDM6BPPARAFFAR1
SCHEMBL3957552 0.80 PPARD (0.43) PPARDKDM4CKDM6BPPARAFFAR1
SCHEMBL4496981 0.79 PPARD (0.42) PPARDPPARAFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605171-B2 (3,4-disubstituted)propanoic carboxylates as S1P (Edg) receptor agonists MERCK & CO., INC. (US) 2009-10-20 US disclosed
US-20080249093-A1 (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists MERCK & CO., INC. (US) 2008-10-09 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-20080249093-A1 (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists S1PR1, S1PR3, S1PR5 PPARD 802/4885KDM4C 2303/4885KDM6B 3181/4885

“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.