SCHEMBL3084710

SCHEMBL3084710

CC(C)=CCC/C(C)=C/CCc1cccc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.52
▸ BACE1 P56817 1/20 0.52
▸ KMT2A Q03164 1/20 0.47
▸ TRPV1 Q8NER1 3/20 0.46
▸ PPARG P37231 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ APP P05067 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ CNR1 P21554 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ GGPS1 O95749 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL3090445 1.00 PTPN1 (0.52) PTPN1BACE1KMT2ATRPV1PPARG
SCHEMBL3084716 1.00 PTPN1 (0.52) PTPN1BACE1KMT2ATRPV1PPARG
SCHEMBL3090448 1.00 PTPN1 (0.52) PTPN1BACE1KMT2ATRPV1PPARG
SCHEMBL11854025 0.84 TRPV1 (0.48) PTPN1BACE1KMT2ATRPV1CNR1
SCHEMBL11856390 0.84 TRPV1 (0.52) PTPN1BACE1KMT2ATRPV1PPARG
SCHEMBL11854039 0.84 TRPV1 (0.48) PTPN1BACE1KMT2ATRPV1CNR1
SCHEMBL11856380 0.84 TRPV1 (0.52) PTPN1BACE1KMT2ATRPV1PPARG
SCHEMBL3091996 0.82 TRPV1 (0.62) KMT2ATRPV1PPARGPPARACNR2
SCHEMBL3088505 0.82 TRPV1 (0.62) KMT2ATRPV1PPARGPPARACNR2
SCHEMBL14695430 0.82 TRPV1 (0.62) KMT2ATRPV1PPARGPPARACNR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629268-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-01-14 — — US disclosed
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-02-21 — — US disclosed
US-8227645-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-07-24 — — US disclosed
US-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-09-09 — — US disclosed
WO-2007097719-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2007-08-30 — — WO disclosed
US-3962282-A JUVENILE HORMONE MIMICS ELI LILLY AND COMPANY (US) 1976-06-08 — — 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-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND DHPS, GGPS1, COASY PTPN1 4863/4885BACE1 2640/4885KMT2A 2281/4885
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND COASY, AKR1C4, AKR1C2 PTPN1 4865/4885BACE1 3199/4885KMT2A 1729/4885

“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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