SCHEMBL17088076

SCHEMBL17088076

CCCC(C)CCNCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL5932513 0.85 TSHR (0.46) TSHRALDH1A1CYP2C19
SCHEMBL25600405 0.85 ACE2 (0.41) TSHRADH1BADH1CADH1AALDH1A1
SCHEMBL25007404 0.84 TSHR (0.37) TSHRALDH1A1
SCHEMBL20079280 0.84 CYP2C19 (0.35) TSHRADH1BADH1CADH1AALDH1A1
SCHEMBL19254391 0.83 ADH1B (0.33) TSHRADH1BADH1CADH1AALDH1A1
SCHEMBL21610074 0.83 LMNA (0.36) ADH1BADH1CADH1AALDH1A1CYP1A2
SCHEMBL25881999 0.83 LMNA (0.39) TSHRADH1BADH1CADH1AALDH1A1
SCHEMBL24764379 0.83 LMNA (0.39) TSHRADH1BADH1CADH1AALDH1A1
SCHEMBL21754098 0.80 TSHR (0.43) TSHRCYP1A2CYP2C19
SCHEMBL20629301 0.80 TSHR (0.43) TSHRCYP1A2CYP2C19

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-9540323-B2 7-hydroxy-indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-10 US disclosed
US-20150259286-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-09-17 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-20150259286-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY11, P2RY2 TSHR 1205/4885ADH1B 2936/4885ADH1C 2204/4885

“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.