SCHEMBL901919

SCHEMBL901919

CC(CS)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.58
AOC3 Q16853 2/20 0.52
TRPA1 O75762 4/20 0.50
RIPK1 Q13546 1/20 0.50
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL14644971 1.00 TAAR1 (0.58) TAAR1AOC3TRPA1RIPK1KDM4E
SCHEMBL23710142 1.00 TAAR1 (0.58) TAAR1AOC3TRPA1RIPK1KDM4E
SCHEMBL5609717 0.80 RIPK1 (0.57) TAAR1AOC3TRPA1RIPK1
SCHEMBL3672929 0.78 TRPA1 (0.67) TAAR1AOC3TRPA1RIPK1KDM4E
SCHEMBL6280516 0.78 RIPK1 (0.67) TAAR1AOC3TRPA1RIPK1
SCHEMBL20082901 0.77 ACHE (0.48) TAAR1ALDH1A1
SCHEMBL16360942 0.77 RIPK1 (0.53) TAAR1AOC3TRPA1RIPK1
SCHEMBL5609879 0.77 RIPK1 (0.53) TAAR1AOC3TRPA1RIPK1
SCHEMBL17453236 0.76 TAAR1 (0.61) TAAR1AOC3TRPA1RIPK1ALDH1A1
SCHEMBL4443642 0.76 TAAR1 (0.61) TAAR1AOC3TRPA1RIPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225370-B1 FOR USE WITH INK JET PRINTERS LEXMARK INTERNATIONAL, INC. 2001-05-01 US claimed
US-20240229262-A1 Gold-Doped Nickel Nanocluster, Preparation Method Therefor, and Use Thereof INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2024-07-11 US disclosed
WO-2024117205-A1 BICYCLIC PYRIDINE DERIVATIVE AND SALT THEREOF, AND HARMFUL ORGANISM CONTROL AGENT CHARACTERIZED BY CONTAINING SAID DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT 北興化学工業株式会社 2024-06-06 WO disclosed
EP-3842074-A1 PROTEIN-DRUG CONJUGATES Philogen S.p.A. (IT) 2021-06-30 EP disclosed
WO-2020227168-A1 INHIBITING TRABID INTEGRAL EARLY DISCOVERY, INC. (US) 2020-11-12 WO disclosed
CN-111101094-A Method for repairing furnace tube inner wall oxide layer on line 中国石油化工股份有限公司 2020-05-05 CN disclosed
US-10351492-B2 Introduction of alkyl substituents to aromatic compounds B. G. NEGEV TECHNOLOGIES AND APPLICATIONS (IL) 2019-07-16 US disclosed
WO-2018193463-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF TETRAHYDROISOQUINOLINE COMPOUNDS NEON LABORATORIES LIMITED (IN) 2018-10-25 WO disclosed
EP-3259249-A1 INTRODUCTION OF ALKYL SUBSTITUENTS TO AROMATIC COMPOUNDS B.G. Negev Technologies & Applications Ltd., at Ben-Gurion University (IL) 2017-12-27 EP disclosed
US-9683015-B2 Peptide C alpha-amides, methods for preparing same and uses thereof as precursors of peptide C alpha-thioesters for protein synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2017-06-20 US disclosed
US-4902707-A Bicyclic pyrazolidinones, compositions and use ELI LILLY AND COMPANY (US) 1990-02-20 US disclosed
US-4826992-A MICROBIOCIDE INTERMEDIATES ELI LILLY AND COMPANY (US) 1989-05-02 US disclosed
US-4795815-A BACTERICIDES, MICROBIOCIDES ELI LILLY AND COMPANY (US) 1989-01-03 US disclosed
US-4734504-A 1-alkylated diazolidinones ELI LILLY AND COMPANY (US) 1988-03-29 US disclosed
US-4734505-A 1-(alkylated)-2-(acylated)diazolidinones ELI LILLY AND COMPANY (US) 1988-03-29 US disclosed
US-4716232-A 1-(vinyl phosphonate adduct) pyrazolidinones ELI LILLY AND COMPANY (US) 1987-12-29 US disclosed
EP-0203722-A1 Bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0203723-A1 2,3-(dihydro)bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed
EP-0104432-A2 Herbicide and plant growth regulator comprising alpha-beta-unsaturated compound TEIJIN LIMITED (JP) 1984-04-04 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 (1 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-10351492-B2 Introduction of alkyl substituents to aromatic compounds TST, NAT1, CBS TAAR1 444/4885AOC3 115/4885TRPA1 16/4885

“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.