SCHEMBL7033667

SCHEMBL7033667

CC(C)(C)c1ccccc1CC=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.40
CA2 P00918 1/20 0.37
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
ATM Q13315 3/20 0.32
KDM4E B2RXH2 3/20 0.32
GAA P10253 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KIF11 P52732 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL6341625 0.80 ALDH1A1 (0.38) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL30035710 0.80 ALDH1A1 (0.38) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL169420 0.79 IDO1 (0.50) ALDH1A1TDP1ATMKDM4ENPSR1
SCHEMBL6841870 0.79 GABRA1 (0.42) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL1521882 0.78 GABRA1 (0.48) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL28896167 0.78 ALDH1A1 (0.39) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL7026726 0.77 CA2 (0.43) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL7461135 0.77 TDP1 (0.38) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL394669 0.76 ALDH1A1 (0.44) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL9479489 0.76 ALDH1A1 (0.44) ALDH1A1TDP1TSHRCA2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152252-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion SERENTRIX, LLC 2017-06-01 US disclosed
US-20160289199-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion SERENTRIX LLC (US) 2016-10-06 US disclosed
US-9216975-B2 TRPV1 vanilloid receptor antagonists with a bicyclic portion Serentrix, LLC. (US) 2015-12-22 US disclosed
US-20130079339-A1 TRPV1 VANILLOID RECEPTOR ANTAGONISTS WITH A BICYCLIC PORTION PHARMESTE S.R.L. (IT) 2013-03-28 US disclosed
EP-0771830-B1 Curable composition containing cycloolefins, silane and filler CIBA SC HOLDING AG (CH) 2003-01-29 EP disclosed
EP-0889107-A2 Cycloolefin based adhesive Ciba SC Holding AG (CH) 1999-01-07 EP disclosed
EP-0771830-A2 Curable composition containing cycloolefins, silane and filler Ciba SC Holding AG (CH) 1997-05-07 EP 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 (3 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-20170152252-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion TRPV1, TRPV5, TRPV3 ALDH1A1 2275/4885TDP1 4380/4885TSHR 1950/4885
US-20160289199-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion TRPV1, TRPV5, TRPV3 ALDH1A1 2275/4885TDP1 4380/4885TSHR 1950/4885
US-20130079339-A1 TRPV1 VANILLOID RECEPTOR ANTAGONISTS WITH A BICYCLIC PORTION TRPV1, TRPV5, TRPV3 ALDH1A1 2275/4885TDP1 4380/4885TSHR 1950/4885

“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.