SCHEMBL1254598

SCHEMBL1254598

CCC1(OC(C)=O)CCCC1=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP19A1 P11511 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL8654847 0.95 GRIN2D (0.35) TSHRCYP19A1
SCHEMBL28827150 0.82 SIRT2 (0.40) CYP19A1
SCHEMBL8315536 0.81 CYP19A1 (0.33) TSHRCYP19A1
SCHEMBL21121157 0.81
SCHEMBL16283884 0.74 GRIN2D (0.31)
SCHEMBL4605079 0.72 GRIN1 (0.38) TSHR
SCHEMBL28870848 0.72 CYP19A1 (0.35) MAPTCYP2C9TSHRCYP19A1CYP2C19
SCHEMBL15083625 0.68 ALDH1A1 (0.33) TSHR
SCHEMBL4564982 0.67 CYP19A1 (0.39) CYP19A1
SCHEMBL29793069 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118292-A1 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS CHENG KANG 2011-05-19 US disclosed
EP-2295409-A1 Fluoro substituted cycloalkanoindoles and their use as prostaglandin D2 receptor antagonists Merck Frosst Canada Limited (CA) 2011-03-16 EP disclosed
EP-2286816-A1 Method of treating atherosclerosis, dyslipidemias and related conditions MERCK SHARP & DOHME (I.A.) CORP. (US) 2011-02-23 EP 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-20110118292-A1 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS LDLR, HCAR1, FFAR1 MAPT 4688/4885CYP2C9 2905/4885TSHR 333/4885

“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.