SCHEMBL40553

SCHEMBL40553

COc1cc(OC)cc(C(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
CYP1A1 P04798 6/20 0.46
CYP1B1 Q16678 6/20 0.46
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2E1 P05181 2/20 0.41
CYP2C8 P10632 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2A6 P11509 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP4B1 P13584 2/20 0.41
CYP2B6 P20813 2/20 0.41
CYP3A5 P20815 2/20 0.41
CYP2A7 P20853 2/20 0.41
CYP3A7 P24462 2/20 0.41
CYP2F1 P24903 2/20 0.41
CYP2C18 P33260 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2J2 P51589 2/20 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
SCHEMBL12248242 0.94 ALDH1A1 (0.53) ALDH1A1CYP1A1CYP1B1KMT2ACYP3A4
SCHEMBL19121574 0.89 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1KMT2ACYP3A4
SCHEMBL19121648 0.89 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1KMT2ACYP3A4
SCHEMBL2758299 0.85 ALDH1A1 (0.45) ALDH1A1CYP1A1CYP1B1KMT2ACYP3A4
SCHEMBL16951124 0.84 ALDH1A1 (0.42) ALDH1A1CYP1A1CYP1B1KMT2ACYP3A4
SCHEMBL309306 0.84 ALDH1A1 (0.42) ALDH1A1CYP1A1CYP1B1KMT2ACYP3A4
SCHEMBL2737289 0.84 ALDH1A1 (0.42) ALDH1A1CYP1A1CYP1B1KMT2ACYP2D6
SCHEMBL16950357 0.84 ALDH1A1 (0.42) ALDH1A1CYP1A1CYP1B1KMT2ACYP3A4
SCHEMBL19122232 0.84 ALDH1A1 (0.42) ALDH1A1CYP1A1CYP1B1KMT2ACYP3A4
SCHEMBL8340815 0.84 ALDH1A1 (0.42) ALDH1A1CYP1A1CYP1B1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493469-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-15 US claimed
EP-2914256-A1 DISUBSTITUTED AMINO ACIDS AND METHODS OF PREPARATION AND USE THEREOF Aileron Therapeutics, Inc. (US) 2015-09-09 EP claimed
WO-2014071241-A1 DISUBSTITUTED AMINO ACIDS AND METHODS OF PREPARATION AND USE THEREOF AILERON THERAPEUTICS, INC. (US) 2014-05-08 WO claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 EP claimed
EP-2177522-B1 NOVEL CARBAPENEM DERIVATIVES XUANZHU PHARMA CO LTD (CN) 2013-09-04 EP claimed
US-7244411-B2 Method of selective peptide isolation for the identification and quantitative analysis of proteins in complex mixtures CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CU) 2007-07-17 US claimed
US-20070128729-A1 Method for the identification and relative quantification of proteins based on the selective isolation of RRnK peptides for the simplification of complex mixtures of proteins CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CU) 2007-06-07 US claimed
EP-1785729-A2 A method for the selective isolation of multiply-charged peptides applicable in the quantitative proteomics CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CIGB) (CU) 2007-05-16 EP claimed
EP-1589341-A2 Method of selective peptide isolation for the identification and quantitative analysis of proteins in complex mixtures CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CIGB) (CU) 2005-10-26 EP claimed
US-20050176085-A1 Method of selective peptide isolation for the identification and quantitative analysis of proteins in complex mixtures CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CU) 2005-08-11 US claimed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US claimed
US-5200526-A Syntheses of optically pure α-amino acids from 3-amino-2-oxetanone salts THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 1993-04-06 US claimed
US-12600699-B2 Thiosemicarbazates and uses thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2026-04-14 US disclosed
WO-2025078811-A1 CANNABINOID COMPOUNDS AND USES THEREOF JAZZ PHARMACEUTICALS RESEARCH UK LIMITED (GB) 2025-04-17 WO disclosed
US-12024580-B2 Resin composition suitable for printing and printing methods Montanuniversität Leoben (AT) 2024-07-02 US disclosed
US-12018045-B2 17-beta-hydroxywithanolides and use thereof in treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-06-25 US disclosed
WO-1990000551-A1 PROCESS FOR THE PREPARATION OF QUINOLINE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 1990-01-25 WO disclosed
EP-0350950-A1 Process for the preparation of quinoline antibacterial compounds ABBOTT LABORATORIES (US) 1990-01-17 EP disclosed
US-4719289-A ANTIGENS, IMMUNOADSORPTION, GLYCOLIPIDS BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1988-01-12 US disclosed
EP-0175290-A2 Glycopeptides, method for their preparation and their use BEHRINGWERKE Aktiengesellschaft (DE) 1986-03-26 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 (2 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-12018045-B2 17-beta-hydroxywithanolides and use thereof in treating cancer HSD17B7, CYP17A1, HSD17B11 ALDH1A1 67/4885CYP1A1 213/4885CYP1B1 273/4885
US-12600699-B2 Thiosemicarbazates and uses thereof MET, THRB, ABAT ALDH1A1 789/4885CYP1A1 2100/4885CYP1B1 1352/4885

“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.