SCHEMBL17469461

SCHEMBL17469461

CCCC(CCO)[C@@H](C)CC

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.39
METAP1 P53582 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL18602679 0.92 TSHR (0.35) TSHRLMNAALDH1A1
SCHEMBL18933350 0.87 TSHR (0.36) TSHRLMNAMETAP1
SCHEMBL1054310 0.84 LMNA (0.37) TSHRLMNAALDH1A1
SCHEMBL11824755 0.84 OPRM1 (0.44) TSHRLMNAALDH1A1
SCHEMBL819111 0.82 LMNA (0.52) TSHRLMNAMETAP1ALDH1A1
SCHEMBL7247072 0.82 LMNA (0.41) TSHRLMNAALDH1A1
SCHEMBL19511846 0.81 TSHR (0.43) TSHRLMNAMETAP1ALDH1A1
SCHEMBL9918852 0.79 TSHR (0.43) TSHRLMNAMETAP1ALDH1A1
SCHEMBL15469686 0.79 TSHR (0.43) TSHRLMNAMETAP1ALDH1A1
SCHEMBL598055 0.78 LMNA (0.40) TSHRLMNAMETAP1

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-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 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-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, EIF2AK2, NR1H4 TSHR 4655/4885LMNA 1478/4885METAP1 2571/4885

“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.