SCHEMBL166126

SCHEMBL166126

COC(=O)c1cc(C)cc(C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.64
HCAR1 Q9BXC0 1/20 0.55
ATM Q13315 1/20 0.53
CNR2 P34972 3/20 0.53
SLC7A5 Q01650 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
NFKB1 P19838 1/20 0.50
XDH P47989 1/20 0.50
GFER P55789 1/20 0.50

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
SCHEMBL9121827 0.91 CA12 (0.60) TPMTTDP1CA12CA1CA2
SCHEMBL7234945 0.91 CA12 (0.60) TPMTTDP1CA12CA1CA2
SCHEMBL70232 0.91 ATM (0.61) TPMTATMCNR2SLC7A5TDP1
Methyl Alcohol SCHEMBL28269742 0.89 CA12 (0.58) TPMTTDP1CA12CA1CA2
Methyl 3,5-Dimethylbenzoate SCHEMBL334346 0.87 CNR2 (0.66) TPMTATMCNR2SLC7A5TDP1
SCHEMBL40661 0.84 TPMT (0.89) TPMTHCAR1CNR2TDP1CA12
SCHEMBL18883015 0.84 CNR2 (0.50) TPMTATMCNR2SLC7A5TDP1
SCHEMBL31455886 0.83 CA12 (0.76) TPMTHCAR1TDP1CA12CA1
SCHEMBL3351858 0.83 ATM (0.53) ATMCNR2SLC7A5TDP1CA12
SCHEMBL17274803 0.83 CA12 (0.76) TPMTHCAR1TDP1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107708418-A Microbicidal Composition 罗门哈斯公司 2018-02-16 CN claimed
US-20260108482-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS INC (US) 2026-04-23 US disclosed
CN-113527217-B Diketopiperazine compound and application thereof 上海惠永药物研究有限公司 2025-05-23 CN disclosed
CN-113939288-B Modulators of MAS-related G protein receptor X4 and related products and methods 伊赛恩特制药公司 2025-04-25 CN disclosed
CN-113527216-B Preparation method of diketopiperazine compound, intermediate thereof and preparation method thereof 上海惠永药物研究有限公司 2025-03-21 CN disclosed
US-20240300907-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2024-09-12 US disclosed
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2023-05-25 US disclosed
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2023-05-25 US disclosed
WO-2005058869-A1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 WO disclosed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP disclosed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US disclosed
WO-2004029019-A2 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER’S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2004-04-08 WO disclosed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO disclosed
WO-2003002122-A1 BETA-HYDROXYAMINE DERIVATIVES USEFUL IN TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-01-09 WO disclosed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US disclosed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO disclosed
EP-0609625-A1 Inhibitors of HIV protease useful for the treatment of AIDS ELI LILLY AND COMPANY (US) 1994-08-10 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 (6 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-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 TPMT 4211/4885HCAR1 193/4885ATM 2664/4885
US-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP TPMT 874/4885HCAR1 500/4885ATM 2313/4885
US-20260108482-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 TPMT 3411/4885HCAR1 105/4885ATM 2893/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 TPMT 1920/4885HCAR1 288/4885ATM 4020/4885
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 TPMT 4211/4885HCAR1 193/4885ATM 2664/4885
US-20240300907-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 TPMT 4211/4885HCAR1 193/4885ATM 2664/4885

“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.