SCHEMBL99833

SCHEMBL99833

Nc1ccc(C(=O)O)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.65
ALDH1A1 P00352 7/20 0.64
POLB P06746 3/20 0.64
CDC25B P30305 1/20 0.55
MAPT P10636 5/20 0.53
SRD5A2 P31213 1/20 0.52
LMNA P02545 1/20 0.52
TTR P02766 1/20 0.50
HPGD P15428 4/20 0.48
CYP3A4 P08684 3/20 0.48
THRB P10828 3/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CASP1 P29466 1/20 0.48
RECQL P46063 1/20 0.48
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 4/20 0.46
GAA P10253 4/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL5794414 0.98 TSHR (0.63) TSHRALDH1A1POLBCDC25BMAPT
SCHEMBL28572995 0.85 ALDH1A1 (0.58) TSHRALDH1A1POLBCDC25BMAPT
SCHEMBL437529 0.84 ALDH1A1 (0.66) TSHRALDH1A1POLBMAPTSRD5A2
SCHEMBL8662676 0.84 ESR2 (0.61) TSHRALDH1A1POLBMAPTSRD5A2
SCHEMBL1469205 0.83 ALDH1A1 (0.54) TSHRALDH1A1POLBSRD5A2HPGD
SCHEMBL879015 0.83 ALDH1A1 (0.54) TSHRALDH1A1POLBHPGDCYP3A4
SCHEMBL29622719 0.83 TSHR (0.65) TSHRALDH1A1POLBCDC25BMAPT
SCHEMBL51027 0.83 TSHR (0.65) TSHRALDH1A1POLBCDC25BMAPT
Hydrochloric Acid SCHEMBL11879283 0.81 ALDH1A1 (0.53) TSHRALDH1A1POLBHPGDCYP3A4
Hydrochloric Acid SCHEMBL6778378 0.81 TSHR (0.63) TSHRALDH1A1POLBCDC25BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773278-A Quinazoline compound and application thereof in antivirus 苏州大学 2022-07-22 CN claimed
CN-114057917-A Post-treatment ashless dispersant and preparation method thereof 中国石油天然气股份有限公司 2022-02-18 CN claimed
CN-110508321-A A kind of solid carbon-based Waugh type catalyst containing molybdenum heteropolyacid and its application WENG FU GROUP CO LTD 2019-11-29 CN claimed
EP-1725548-B1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF ASPARTIC ACETAL CASPASE INHIBITORS VERTEX PHARMA (US) 2015-01-14 EP claimed
US-20130066083-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-14 US claimed
CN-1950364-B Process and intermediates for preparing aspartate acetal caspase inhibitors VERTEX PHARMA 2011-06-08 CN claimed
US-7834200-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-16 US claimed
US-7611692-B2 bombesin, derivatives and/or analogues capable of complexing metal ions, radionuclides or optical labels, for use in radiotherapy BRACCO IMAGING S.P.A. (IT) 2009-11-03 US claimed
US-20090048429-A1 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US claimed
CN-1950364-A Process and intermediates for preparing aspartate acetal caspase inhibitors VERTEX PHARMA (US) 2007-04-18 CN claimed
EP-1725548-A2 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF ASPARTIC ACETAL CASPASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2006-11-29 EP claimed
US-20060110743-A1 Drug evolution: drug design at hot spots KONISHI YASUO 2006-05-25 US claimed
US-20060020016-A1 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED 2006-01-26 US claimed
WO-2005090334-A2 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF ASPARTIC ACETAL CASPASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-09-29 WO claimed
WO-2002095393-A2 DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2002-11-28 WO claimed
EP-0451094-B1 Process for the production of pigments CIBA GEIGY AG (CH) 1995-02-01 EP claimed
US-5151129-A Precipitation of pigments and coupling CIBA-GEIGY CORPORATION (US) 1992-09-29 US claimed
EP-0451094-A1 Process for the production of pigments CIBA-GEIGY AG (CH) 1991-10-09 EP claimed
EP-4673474-A2 ANTI-PSMA ANTIBODIES, CONJUGATES, AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2026-01-07 EP disclosed
US-3964862-A Process for dyeing and printing textile materials of synthetic organic fibers CIBA-GEIGY AG (CH) 1976-06-22 US 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-20130066083-A1 PROCESSES AND INTERMEDIATES CASP1, CASP3, CASP5 TSHR 4859/4885ALDH1A1 378/4885POLB 1990/4885
US-20090048429-A1 Processes and intermediates CASP1, CASP3, CASP5 TSHR 4859/4885ALDH1A1 378/4885POLB 1990/4885
US-20060020016-A1 Processes and intermediates CASP1, CASP3, CASP5 TSHR 4859/4885ALDH1A1 378/4885POLB 1990/4885

“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.