SCHEMBL358963

SCHEMBL358963

CC(C)(C)c1ccccc1CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TSHR P16473 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA2 P00918 1/20 0.48
APOBEC3G Q9HC16 1/20 0.44
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
ALOX12 P18054 1/20 0.41
KIF11 P52732 1/20 0.39
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KLF10 Q13118 1/20 0.38
CFTR P13569 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL29747171 1.00 ALDH1A1 (0.52) ALDH1A1TSHRTDP1CA2APOBEC3G
Carbamic Acid SCHEMBL31333088 0.88 MAPT (0.42) ALDH1A1TSHRTDP1CA2PDCD1
SCHEMBL9251988 0.84 ALDH1A1 (0.46) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL24702055 0.82 CA2 (0.46) ALDH1A1TSHRTDP1CA2APOBEC3G
SCHEMBL10706992 0.82 CA2 (0.64) ALDH1A1TSHRTDP1CA2PDCD1
SCHEMBL10176579 0.82 PDCD1 (0.50) ALDH1A1TSHRTDP1CA2APOBEC3G
SCHEMBL5435016 0.82 ALDH1A1 (0.48) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL9838551 0.82 ALDH1A1 (0.48) ALDH1A1TSHRTDP1CA2GABRA1
Hydrogen Peroxide SCHEMBL11570368 0.81 GABRA1 (0.50) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL9626866 0.81 CA2 (0.45) ALDH1A1TSHRTDP1CA2APOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108160094-B Nitrogen-doped carbon material supported noble metal catalyst, preparation and application thereof 中国科学院大连化学物理研究所 2020-12-15 CN claimed
CN-107537565-B Amphoteric crosslinked polymer supported noble metal catalyst, preparation and alcohol oxidation method 中国科学院大连化学物理研究所 2020-06-19 CN claimed
CN-107754856-B Preparation of macrocyclic compound supported gold catalyst, gold catalyst and application 中国科学院大连化学物理研究所 2020-03-27 CN claimed
CN-107349960-B Nitrogen-containing cross-linked polymer supported nano-gold catalyst, preparation thereof and application thereof in alcohol selective oxidation reaction in aqueous medium 中国科学院大连化学物理研究所 2020-02-07 CN claimed
CN-108160094-A A kind of N doping Carbon Materials support noble metal catalyst and preparation and application 中国科学院大连化学物理研究所 2018-06-15 CN claimed
WO-2009029242-A1 FUNCTIONALIZATION OF POLYGLYCOLIDES BY 'CLICK' CHEMISTRY MICHIGAN STATE UNIVERSITY (US) 2009-03-05 WO claimed
US-20090054619-A1 Functionalization of polyglycolides by \"click\" chemistry BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2009-02-26 US claimed
CN-118076348-A N-acylhydrazone compounds capable of inhibiting NAV 1.7 and/or NAV 1.8, methods of making, compositions, uses, methods of treatment and kits using the same 欧罗法玛实验室股份公司 2024-05-24 CN disclosed
US-20240166646-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES NEWAVE PHARMACEUTICAL INC. 2024-05-23 US disclosed
US-20240018131-A1 MATRIX METALLOPROTEINASE (MMP) INHIBITORS AND METHODS OF USE THEREOF FORESEE PHARMACEUTICALS USA, INC. 2024-01-18 US disclosed
US-20240018131-A1 MATRIX METALLOPROTEINASE (MMP) INHIBITORS AND METHODS OF USE THEREOF FORESEE PHARMACEUTICALS USA, INC. 2024-01-18 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-11807709-B2 Method for producing polyisocyanates of (cyclo)aliphatic diisocyanates which are flocculation-stable in solvents BASF SE 2023-11-07 US disclosed
EP-0244632-B1 TUBE BUNDLE REACTOR, ITS USE IN EXOTHERMAL ORGANIC REACTIONS AND PROCESS FOR THE PREPARATION OF KETONES AND ALDEHYDES BASF Aktiengesellschaft (DE) 1991-02-20 EP disclosed
EP-0305093-A1 Imidazo(1,2-b)pyridazine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1989-03-01 EP disclosed
EP-0244632-A2 Tube bundle reactor, its use in exothermal organic reactions and process for the preparation of ketones and aldehydes BASF Aktiengesellschaft (DE) 1987-11-11 EP disclosed
EP-0004881-B1 PROCESS FOR THE PREPARATION OF AROMATIC AND ARALIPHATIC ALDEHYDES BASF Aktiengesellschaft (DE) 1981-10-07 EP disclosed
US-4224254-A OXIDATION OF AROMATIC ALCOHOLS, SILVER CATALYST BASF AKTIENGESELLSCHAFT (DE) 1980-09-23 US disclosed
US-4219570-A Insect repellents and a method of repelling insects AJINOMOTO COMPANY, INCORPORATED (JP) 1980-08-26 US disclosed
EP-0004881-A2 Process for the preparation of aromatic and araliphatic aldehydes BASF Aktiengesellschaft (DE) 1979-10-31 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 (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-20240166646-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES BCL2, BCL3, BCL2L1 ALDH1A1 1700/4885TSHR 3324/4885TDP1 694/4885
US-20240018131-A1 MATRIX METALLOPROTEINASE (MMP) INHIBITORS AND METHODS OF USE THEREOF MMP12, MMP1, MMP11 ALDH1A1 2785/4885TSHR 4265/4885TDP1 2386/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS ALDH1A1 2149/4885TSHR 11/4885TDP1 1212/4885

“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.