SCHEMBL2481682

SCHEMBL2481682

CCC[C@@H](O)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.52
CSNK1E P49674 1/20 0.50
SIGMAR1 Q99720 5/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
SLC6A2 P23975 2/20 0.45
TAAR1 Q96RJ0 2/20 0.45
MAOA P21397 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CYP2A6 P11509 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
POLB P06746 2/20 0.44
ALPL P05186 1/20 0.44
ALPG P10696 1/20 0.44
CYP1A2 P05177 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
SCHEMBL107253 1.00 TRPA1 (0.52) TRPA1CSNK1ESIGMAR1HDAC3HDAC4
SCHEMBL5617449 1.00 TRPA1 (0.52) TRPA1CSNK1ESIGMAR1HDAC3HDAC4
SCHEMBL28192235 0.98 TRPA1 (0.50) TRPA1CSNK1ESIGMAR1HDAC3HDAC4
SCHEMBL10584313 0.89 TRPA1 (0.43) TRPA1CSNK1ESIGMAR1HDAC3HDAC4
SCHEMBL1828017 0.88 CSNK1E (0.56) TRPA1CSNK1ESIGMAR1SLC6A2TAAR1
Phthalic Acid SCHEMBL15388854 0.88 ALDH1A1 (0.47) TRPA1CSNK1EHDAC3HDAC4HDAC1
SCHEMBL5105980 0.86 TRPA1 (0.52) TRPA1SIGMAR1SLC6A2TAAR1MAOA
SCHEMBL11334152 0.86 CSNK1E (0.63) TRPA1CSNK1E
SCHEMBL28585706 0.86 CSNK1E (0.63) TRPA1CSNK1E
SCHEMBL10497215 0.84 CSNK1E (0.66) TRPA1CSNK1E

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2377930-B1 A group of esterases for the enantioselective production of fine and speciality chemicals BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2015-12-02 EP claimed
EP-2385109-B1 A group of esterases for the enantioselective production of fine and speciality chemicals BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2015-12-02 EP claimed
EP-2013337-B1 A GROUP OF ESTERASES FOR THE ENANTIOSELECTIVE PRODUCTION OF FINE AND SPECIALITY CHEMICALS BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2013-03-27 EP claimed
EP-2385109-A2 A group of esterases for the enantioselective production of fine and speciality chemicals B.R.A.I.N. Biotechnology Research And Information Network AG (DE) 2011-11-09 EP claimed
EP-2377930-A1 A group of esterases for the enantioselective production of fine and speciality chemicals B.R.A.I.N. Biotechnology Research And Information Network AG (DE) 2011-10-19 EP claimed
US-20090311745-A1 GROUP OF ESTERASES FOR THE ENANTIOSELECTIVE PRODUCTION OF FINE AND SPECIALITY CHEMICALS B.R.A.I.N AG (DE) 2009-12-17 US claimed
EP-2013337-A2 A GROUP OF ESTERASES FOR THE ENANTIOSELECTIVE PRODUCTION OF FINE AND SPECIALITY CHEMICALS B.R.A.I.N. AG (DE) 2009-01-14 EP claimed
WO-2007128496-A2 A GROUP OF ESTERASES FOR THE ENANTIOSELECTIVE PRODUCTION OF FINE AND SPECIALITY CHEMICALS B.R.A.I.N. AG (DE) 2007-11-15 WO claimed
US-11767310-B2 Nicotinamide RIPK1 inhibitors ABBVIE INC. (US) 2023-09-26 US disclosed
US-20230127127-A1 NICOTINAMIDE RIPK1 INHIBITORS ABBVIE INC. 2023-04-27 US disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
EP-2377930-B1 A group of esterases for the enantioselective production of fine and speciality chemicals BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2015-12-02 EP disclosed
EP-2385109-B1 A group of esterases for the enantioselective production of fine and speciality chemicals BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2015-12-02 EP disclosed
WO-2007128496-A2 A GROUP OF ESTERASES FOR THE ENANTIOSELECTIVE PRODUCTION OF FINE AND SPECIALITY CHEMICALS B.R.A.I.N. AG (DE) 2007-11-15 WO disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
US-7229817-B2 Recombinant porcine liver esterases, their use and a method for the production thereof DEGUSSA AG (DE) 2007-06-12 US disclosed
US-20040161836-A1 Recombinant porcine liver esterases, their use and a method for the production thereof ENZYMICALS AG (DE) 2004-08-19 US disclosed
EP-1343902-A2 RECOMBINANT PORCINE LIVER ESTERASES, THEIR USE AND A METHOD FOR THE PRODUCTION THEREOF Degussa AG (DE) 2003-09-17 EP disclosed
WO-2002048322-A2 RECOMBINANT PORCINE LIVER ESTERASES, THEIR USE AND A METHOD FOR THE PRODUCTION THEREOF DEGUSSA AG (DE) 2002-06-20 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 (5 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-20230127127-A1 NICOTINAMIDE RIPK1 INHIBITORS RIPK1, RIPK2, RIPK4 TRPA1 4540/4885CSNK1E 654/4885SIGMAR1 4605/4885
US-11767310-B2 Nicotinamide RIPK1 inhibitors RIPK1, RIPK2, RIPK4 TRPA1 4540/4885CSNK1E 654/4885SIGMAR1 4605/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 TRPA1 4408/4885CSNK1E 1133/4885SIGMAR1 1193/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 TRPA1 4192/4885CSNK1E 981/4885SIGMAR1 546/4885
US-20040161836-A1 Recombinant porcine liver esterases, their use and a method for the production thereof CES1, PIGS, BCHE TRPA1 4365/4885CSNK1E 1015/4885SIGMAR1 2950/4885

“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.