SCHEMBL8235394

SCHEMBL8235394

C[C@@H](CCO)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.70
RIPK1 Q13546 1/20 0.57
TAAR1 Q96RJ0 3/20 0.54
AOC3 Q16853 2/20 0.48
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 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
SCHEMBL81404 1.00 TRPA1 (0.70) TRPA1RIPK1TAAR1AOC3KDM4E
SCHEMBL3607526 1.00 TRPA1 (0.70) TRPA1RIPK1TAAR1AOC3KDM4E
SCHEMBL8155333 0.87 TRPA1 (0.56) TRPA1RIPK1
SCHEMBL624310 0.86 TRPA1 (0.60) TRPA1RIPK1TAAR1AOC3KDM4E
SCHEMBL30148108 0.86 TRPA1 (0.60) TRPA1RIPK1TAAR1AOC3KDM4E
SCHEMBL6280516 0.85 RIPK1 (0.67) TRPA1RIPK1TAAR1AOC3
SCHEMBL1144321 0.85 TRPA1 (0.58) TRPA1RIPK1TAAR1AOC3ALDH1A1
SCHEMBL21778163 0.84 TRPA1 (0.53) TRPA1RIPK1KDM4ELMNA
SCHEMBL29263718 0.83 TRPA1 (0.56) TRPA1RIPK1TAAR1AOC3ALDH1A1
SCHEMBL16702621 0.83 TRPA1 (1.00) TRPA1RIPK1TAAR1AOC3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063154-B1 CROSS-COUPLING OF UNACTIVATED SECONDARY BORONIC ACIDS UNIV ILLINOIS (US) 2023-08-30 EP disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 US disclosed
US-10072028-B2 Cross-coupling of unactivated secondary boronic acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-09-11 US disclosed
US-20160280721-A1 CROSS-COUPLING OF UNACTIVATED SECONDARY BORONIC ACIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2016-09-29 US disclosed
EP-3063154-A2 CROSS-COUPLING OF UNACTIVATED SECONDARY BORONIC ACIDS The Board of Trustees of the University of Illinois (US) 2016-09-07 EP disclosed
WO-2015066612-A2 CROSS-COUPLING OF UNACTIVATED SECONDARY BORONIC ACIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-05-07 WO disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (6 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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 TRPA1 3831/4885RIPK1 1464/4885TAAR1 685/4885
US-20160280721-A1 CROSS-COUPLING OF UNACTIVATED SECONDARY BORONIC ACIDS BOLA2; BOLA2B, BLVRB, CD79B TRPA1 4540/4885RIPK1 2944/4885TAAR1 2285/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 TRPA1 3831/4885RIPK1 1464/4885TAAR1 685/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 TRPA1 3925/4885RIPK1 1521/4885TAAR1 652/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 TRPA1 3831/4885RIPK1 1464/4885TAAR1 685/4885
US-10072028-B2 Cross-coupling of unactivated secondary boronic acids BOLA2; BOLA2B, BLVRB, CD79B TRPA1 4540/4885RIPK1 2944/4885TAAR1 2285/4885

“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.