SCHEMBL17469414

SCHEMBL17469414

C=C/C=C(\C=C/N)CCCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.39
ALDH1A1 P00352 3/20 0.36
SPHK2 Q9NRA0 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
FAAH O00519 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
SOAT1 P35610 1/20 0.35
CES2 O00748 3/20 0.34
CES1 P23141 3/20 0.34
GPR84 Q9NQS5 6/20 0.33
PPARG P37231 6/20 0.33
PPARD Q03181 6/20 0.33
PPARA Q07869 6/20 0.33
HDAC11 Q96DB2 5/20 0.33
TLR2 O60603 2/20 0.33

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
SCHEMBL17888213 0.92 ALDH1A1 (0.34) TSHRALDH1A1TP53CES2CES1
SCHEMBL20260243 0.83 TSHR (0.40) TSHRALDH1A1FAAHMEN1KMT2A
SCHEMBL12087602 0.80 TSHR (0.38) TSHRALDH1A1FAAHMEN1KMT2A
SCHEMBL30899494 0.77 TDP1 (0.49) TSHRALDH1A1FAAHMEN1KMT2A
SCHEMBL19880951 0.75 ALDH1A1 (0.36) TSHRALDH1A1TP53CES2CES1
SCHEMBL13716750 0.74 TSHR (0.32) TSHRALDH1A1TP53TDP1
SCHEMBL18753279 0.73
SCHEMBL8588485 0.72 SPHK2 (0.46) TSHRALDH1A1SPHK2SPHK1FAAH
SCHEMBL26084994 0.72 TSHR (0.41) TSHRALDH1A1SPHK2SPHK1FAAH
SCHEMBL26084995 0.72 TSHR (0.41) TSHRALDH1A1SPHK2SPHK1FAAH

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 4655/4885ALDH1A1 2569/4885SPHK2 3457/4885

“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.