SCHEMBL3093124

SCHEMBL3093124

COc1ccc(CCC=C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
CALM1 P0DP23 2/20 0.52
TRPV1 Q8NER1 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
F2RL1 P55085 1/20 0.49
MAOB P27338 2/20 0.47
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
ALOX15 P16050 2/20 0.46
IGF1R P08069 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
AOC3 Q16853 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
GPR52 Q9Y2T5 1/20 0.45

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
SCHEMBL806714 0.90 TRPV1 (0.61) CALM1TRPV1F2RL1ALOX15ALDH1A1
SCHEMBL3093198 0.90 TRPV1 (0.61) CALM1TRPV1F2RL1ALOX15ALDH1A1
SCHEMBL11458753 0.83 CALM1 (0.50) TAAR1CALM1SMN1; SMN2F2RL1MAOB
SCHEMBL10049321 0.83 CALM1 (0.50) TAAR1CALM1SMN1; SMN2F2RL1MAOB
SCHEMBL29209947 0.82 SMN1; SMN2 (0.57) TRPV1SMN1; SMN2F2RL1ALDH1A1TP53
SCHEMBL579009 0.81 SMN1; SMN2 (0.51) TAAR1CALM1SMN1; SMN2F2RL1ALDH1A1
SCHEMBL445382 0.81 SMN1; SMN2 (0.51) TAAR1CALM1SMN1; SMN2F2RL1ALDH1A1
SCHEMBL22445032 0.81 TRPV1 (0.49) TAAR1CALM1TRPV1F2RL1ALOX15
SCHEMBL15105141 0.80 SMN1; SMN2 (0.59) TAAR1CALM1TRPV1SMN1; SMN2ALOX15
SCHEMBL22445083 0.79 TRPV1 (0.50) TAAR1CALM1TRPV1SMN1; SMN2F2RL1

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 TAAR1 4216/4885CALM1 4222/4885TRPV1 2313/4885
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND COASY, AKR1C4, AKR1C2 TAAR1 3463/4885CALM1 3567/4885TRPV1 2612/4885

“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.