SCHEMBL17019976

SCHEMBL17019976

CC(C)=CCC/C(C)=C/CC/C(C)=C/CNc1ccccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.48
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 4/20 0.45
▸ PGR P06401 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ PDE4A P27815 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ SNCA P37840 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ APP P05067 2/20 0.45
▸ MAOB P27338 2/20 0.45
▸ HTT P42858 1/20 0.43
▸ GGPS1 O95749 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42

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
SCHEMBL3599812 0.82 ALOX5 (0.45) TRPV1KMT2A
SCHEMBL3599814 0.82 ALOX5 (0.45) TRPV1KMT2A
Squalene SCHEMBL27795631 0.81 KMT2A (0.65) KMT2AMAPTPGRHTR1AADORA3
SCHEMBL16190235 0.81 GGPS1 (0.64) TRPV1MAPTGGPS1ALDH1A1CYP3A4
SCHEMBL3864833 0.81 GGPS1 (0.64) TRPV1MAPTGGPS1ALDH1A1CYP3A4
SCHEMBL8224019 0.80 TRPV1 (0.55) TRPV1KMT2AMAPTALDH1A1MEN1
SCHEMBL3595116 0.80 TRPV1 (0.46) TRPV1
SCHEMBL3595119 0.80 TRPV1 (0.46) TRPV1
SCHEMBL17019884 0.80 GGPS1 (0.52) TRPV1MAPTGGPS1CYP3A4
SCHEMBL28652919 0.79 GGPS1 (0.64) TRPV1MAPTGGPS1ALDH1A1CYP3A4

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-10376591-B2 Formulations and carrier systems including farnesylthiosalicylic moieties University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2019-08-13 — — US disclosed
US-20150231271-A1 FORMULATIONS AND CARRIER SYSTEMS INCLUDING FARNESYLTHIOSALYCYLIC MOITIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-20 — — 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 (2 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-10376591-B2 Formulations and carrier systems including farnesylthiosalicylic moieties FNTA, FNTB, KRAS TRPV1 1417/4885KMT2A 4722/4885MAPT 4139/4885
US-20150231271-A1 FORMULATIONS AND CARRIER SYSTEMS INCLUDING FARNESYLTHIOSALYCYLIC MOITIES FNTA, MSR1, NPC1L1 TRPV1 1470/4885KMT2A 4619/4885MAPT 4047/4885

“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.

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