SCHEMBL25547191

SCHEMBL25547191

COC(=O)c1ccc(OCCCCC2CCNCC2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.53
ITGA2B P08514 17/20 0.53
ITGAV P06756 2/20 0.46
CHRM2 P08172 1/20 0.46
SLC6A4 P31645 1/20 0.46
THRB P10828 1/20 0.45

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
SCHEMBL22310562 0.88 ITGB3 (0.52) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL1295258 0.85 ITGB3 (0.48) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL2568966 0.84 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL25547122 0.83 ITGB3 (0.47) ITGB3ITGA2BTHRB
SCHEMBL20060901 0.81 GPR119 (0.61)
Hydrochloric Acid SCHEMBL31752567 0.79 CHEK2 (0.53) ITGB3ITGA2B
SCHEMBL22264119 0.78 THRB (0.64) THRB
SCHEMBL20503245 0.78 THRB (0.64) THRB
SCHEMBL1856929 0.78 PARP10 (0.50)
SCHEMBL9590251 0.77 THRB (0.55) ITGB3ITGA2BTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME LLC (US) 2023-05-23 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-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 ITGB3 1968/4885ITGA2B 2498/4885ITGAV 3107/4885

“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.