SCHEMBL10154809

SCHEMBL10154809

CCCCCCCC(CCCCCCC)C(CC)CCCCCC(C#N)CC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
DNM1 Q05193 2/20 0.33
SMPD1 P17405 3/20 0.32
OPRM1 P35372 1/20 0.32
THRB P10828 1/20 0.32
GPR84 Q9NQS5 3/20 0.31
FDPS P14324 3/20 0.31
SPHK1 Q9NYA1 1/20 0.31
FFAR1 O14842 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
SCHEMBL8644486 0.89 TSHR (0.42) TSHRLMNADNM1OPRM1THRB
SCHEMBL2601778 0.89 TSHR (0.42) TSHRLMNADNM1OPRM1THRB
SCHEMBL12939814 0.89 TSHR (0.42) TSHRLMNADNM1OPRM1THRB
SCHEMBL29525101 0.87 TSHR (0.40) TSHRLMNADNM1OPRM1THRB
SCHEMBL1960012 0.87 TSHR (0.43) TSHRLMNADNM1OPRM1THRB
Hydrochloric Acid SCHEMBL29189739 0.85 TSHR (0.42) TSHRLMNADNM1OPRM1THRB
Hydrochloric Acid SCHEMBL5480968 0.85 TSHR (0.42) TSHRLMNADNM1OPRM1THRB
SCHEMBL28132173 0.82 TSHR (0.47) TSHRLMNADNM1SMPD1OPRM1
SCHEMBL28066893 0.82 TSHR (0.47) TSHRLMNADNM1SMPD1OPRM1
SCHEMBL7158134 0.81 TSHR (0.42) TSHRLMNADNM1OPRM1

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-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 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-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB4 TSHR 269/4885LMNA 4831/4885DNM1 1913/4885

“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.