SCHEMBL2082622

SCHEMBL2082622

O=C1C=C(C(=O)O)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OAT P04181 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
TSHR P16473 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRR1 P24046 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34

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
Trimethylammonium SCHEMBL28000537 0.92 MT-CO2 (0.37) OATMAPTALDH1A1POLBMT-CO2
SCHEMBL14293551 0.85
SCHEMBL2081539 0.79 MT-CO2 (0.40) MAPTALDH1A1MT-CO2
SCHEMBL25408481 0.77 MAPT (0.38) MAPTALDH1A1POLBMT-CO2RAB9A
SCHEMBL2600393 0.76 CHRM3 (0.42) MAPTALDH1A1TSHRLMNABLM
SCHEMBL6316758 0.76 MAPT (0.48) MAPTALDH1A1POLBTSHRLMNA
Dimethylcarbate SCHEMBL10504107 0.74 MT-CO2 (0.35) MAPTALDH1A1MT-CO2
SCHEMBL31259192 0.73 MAPT (0.38) MAPTALDH1A1POLBMT-CO2
SCHEMBL31457192 0.71 OAT (0.37) OATALDH1A1POLBGABRPGABRD
SCHEMBL5433945 0.70 TSHR (0.40) MAPTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104557356-B The manufacture method of nitrile and its corresponding amine 中国石油化工股份有限公司 2017-10-10 CN claimed
US-5200513-A Processes for producing doxorubicin, daunomycinone, and derivatives of doxorubicin BOARD OF REGENTS, UNIVERSITY OF NEBRASKA-LINCOLN (US) 1993-04-06 US claimed
US-12459904-B2 Process for preparing carbamoyloxymethyl triazole cyclohexyl acid compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2025-11-04 US disclosed
US-20250197416-A1 PARTHENOLIDE DERIVATIVES AND USE THEREOF UNIVERSITY OF ROCHESTER (US) 2025-06-19 US disclosed
US-20250145589-A1 PYRIDINE DERIVATIVE AND USE THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2025-05-08 US disclosed
EP-4406948-A1 PYRIDINE DERIVATIVE AND USE THEREOF Sichuan Huiyu Pharmaceutical Co., Ltd. (CN) 2024-07-31 EP disclosed
WO-2023178061-A1 BIOCATALYTIC SYNTHESIS OF (1S,3S)-3-HYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-09-21 WO disclosed
WO-2023178302-A1 PARTHENOLIDE DERIVATIVES AND USE THEREOF UNIVERSITY OF ROCHESTER (US) 2023-09-21 WO disclosed
WO-2023150568-A2 ENGINEERED ENONE REDUCTASE AND KETOREDUCTASE VARIANT ENZYMES CODEXIS, INC. (US) 2023-08-10 WO disclosed
US-20230242946-A1 ENGINEERED ENONE REDUCTASE AND KETOREDUCTASE VARIANT ENZYMES CODEXIS, INC. 2023-08-03 US disclosed
US-20230242946-A1 ENGINEERED ENONE REDUCTASE AND KETOREDUCTASE VARIANT ENZYMES CODEXIS, INC. 2023-08-03 US disclosed
EP-2957629-A1 Improved production of vanilloids by fermentation Rhodia Opérations (FR) 2015-12-23 EP disclosed
EP-2957635-A1 Improved selectivity of the production of vanilloids in a recombinant unicellular host Rhodia Opérations (FR) 2015-12-23 EP disclosed
US-8163944-B2 Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions UNIVERSITY OF MARYLAND COLLEGE PARK (US) 2012-04-24 US disclosed
US-8163944-B2 Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions UNIVERSITY OF MARYLAND COLLEGE PARK (US) 2012-04-24 US disclosed
US-8163944-B2 Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions UNIVERSITY OF MARYLAND COLLEGE PARK (US) 2012-04-24 US disclosed
US-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2009-04-09 US disclosed
US-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2009-04-09 US disclosed
US-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2009-04-09 US disclosed
US-6291679-B1 REACTING 3-OXO-6-PHENYLCYCLOHEX-1-ENE-1-CARBOXYLATE WITH ENZYME FORMING OPTICAL ISOMER; TREATING WITH AMINE PROTECTED N-TRIALKYLSILYLMETHYL-N-(ALKOXYMETHYL)AMINE TO FORM PHENYLPERHYDROISOINDOLE-3A-CARBOXYLATE DERIVATIVE, CYCLIZATION RHONE-POULENC RORER S.A. (FR) 2001-09-18 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 (4 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-12459904-B2 Process for preparing carbamoyloxymethyl triazole cyclohexyl acid compounds LPAR2, LPAR3, LPAR5 OAT 3076/4885MAPT 4238/4885ALDH1A1 3831/4885
US-20250197416-A1 PARTHENOLIDE DERIVATIVES AND USE THEREOF CASP8, WEE1, CASP7 OAT 1734/4885MAPT 676/4885ALDH1A1 3297/4885
US-20250145589-A1 PYRIDINE DERIVATIVE AND USE THEREOF KRAS, NRAS, BRAF OAT 3624/4885MAPT 3897/4885ALDH1A1 2966/4885
US-20090093638-A1 Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions CYP11B2, DHCR7, ZDHHC7 OAT 769/4885MAPT 3433/4885ALDH1A1 530/4885

“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.