SCHEMBL3080064

SCHEMBL3080064

CC(C)=CCCc1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
HSPA5 P11021 1/20 0.46
HTR1A P08908 1/20 0.46
COPS5 Q92905 1/20 0.45
MPO P05164 3/20 0.44
IDO1 P14902 2/20 0.44
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
SLC6A4 P31645 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
AKR1B1 P15121 1/20 0.41
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
TYR P14679 1/20 0.39

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
SCHEMBL28075186 0.89 MPO (0.47) TAAR1HSPA5HTR1AMPOCYP2D6
SCHEMBL1060627 0.80 AKR1B1 (0.47) TAAR1HSPA5HTR1AMPOIDO1
SCHEMBL1137147 0.80 AKR1B1 (0.47) TAAR1HSPA5HTR1AMPOIDO1
SCHEMBL11780321 0.79 TAAR1 (0.54) TAAR1HSPA5HTR1AMPOIDO1
SCHEMBL1967302 0.79 HTT (0.53) TAAR1HSPA5IDO1CYP2D6TSHR
SCHEMBL5823579 0.77 ACHE (0.56) HTR1A
Geraniol SCHEMBL15012349 0.77 KMT2A (0.53) HTR1ASLC6A4
Geraniol SCHEMBL15012473 0.77 KMT2A (0.53) HTR1ASLC6A4
SCHEMBL29056126 0.76 TAAR1 (0.55) TAAR1HSPA5HTR1AMPOIDO1
SCHEMBL29056125 0.76 TAAR1 (0.55) TAAR1HSPA5HTR1AMPOIDO1

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 4216/4885HSPA5 3169/4885HTR1A 4629/4885
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND COASY, AKR1C4, AKR1C2 TAAR1 3463/4885HSPA5 2919/4885HTR1A 4515/4885

“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.