SCHEMBL3079938

SCHEMBL3079938

CC(C)=CCCc1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
TRPV1 Q8NER1 1/20 0.41
IGF1R P08069 1/20 0.41
ALOX15 P16050 1/20 0.41
SRC P12931 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
IDO1 P14902 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
KCNH2 Q12809 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL3084555 0.89 KMT2A (0.53) TRPV1ALOX15
SCHEMBL3092254 0.89 KMT2A (0.53) TRPV1ALOX15
SCHEMBL3084553 0.89 KMT2A (0.53) TRPV1ALOX15
SCHEMBL3092262 0.89 KMT2A (0.53) TRPV1ALOX15
SCHEMBL9633727 0.83 NOS3 (0.39) TRPV1ALOX15
SCHEMBL107820 0.83 ESR1 (0.54) TAAR1TDP1L3MBTL1
SCHEMBL10988255 0.82 TRPA1 (0.46) CYP1A2CYP2A6TAAR1IGF1RALOX15
SCHEMBL9633317 0.81 ALDH1A1 (0.36) TRPV1
SCHEMBL4769318 0.81 TAAR1 (0.45) TAAR1TRPV1GPR52
SCHEMBL105976 0.80 TRPV1 (0.51) TRPV1ALOX15GPR52TDP1

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 5 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

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 CYP1A2 147/4885CYP2A6 89/4885TAAR1 4216/4885
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND COASY, AKR1C4, AKR1C2 CYP1A2 114/4885CYP2A6 51/4885TAAR1 3463/4885

“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.