SCHEMBL15978448

SCHEMBL15978448

C=CCOC(CC=C)CCCCC

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 1/20 0.33
OPRM1 P35372 1/20 0.31
FAAH O00519 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
SCHEMBL28634941 0.88 TSHR (0.39) TSHRALDH1A1OPRM1
SCHEMBL16107215 0.88 TSHR (0.43) TSHRALDH1A1OPRM1
SCHEMBL25125852 0.88 TSHR (0.43) TSHRALDH1A1OPRM1
SCHEMBL1817041 0.85 TSHR (0.41) TSHRALDH1A1OPRM1
SCHEMBL29287268 0.85 TSHR (0.41) TSHRALDH1A1OPRM1
SCHEMBL11742763 0.85 TSHR (0.40) TSHRALDH1A1OPRM1FAAH
SCHEMBL10397989 0.82 TSHR (0.41) TSHRALDH1A1FAAH
SCHEMBL9407355 0.81 LMNA (0.44) TSHRALDH1A1
SCHEMBL10795533 0.80 TSHR (0.43) TSHRALDH1A1OPRM1FAAH
SCHEMBL598598 0.80 TSHR (0.43) TSHRALDH1A1OPRM1FAAH

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-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-08-28 US disclosed
US-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-08-28 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-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY WEE1, WEE2, NOTUM TSHR 2271/4885ALDH1A1 1556/4885OPRM1 4513/4885

“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.