SCHEMBL2597919

SCHEMBL2597919

CC(C)c1cc(C=O)cc(C(C)C)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2B6 P20813 1/20 0.55
GABRA1 P14867 5/20 0.52
GABRB1 P18505 5/20 0.52
GABRB2 P47870 2/20 0.52
EGFR P00533 1/20 0.49
GAA P10253 1/20 0.47
ALOX5 P09917 1/20 0.46
FAAH O00519 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GABRG2 P18507 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 1/20 0.44
GABRB3 P28472 1/20 0.44

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
SCHEMBL10589772 0.86 GABRA1 (0.48) CA1CA2CYP1A2CYP3A4CYP2B6
SCHEMBL19704411 0.84 CYP1A2 (0.46) CA1CA2CYP1A2CYP3A4CYP2B6
SCHEMBL28258800 0.84 CYP1A2 (0.46) CA1CA2CYP1A2CYP3A4CYP2B6
SCHEMBL2269883 0.83 ALDH1A1 (0.50) CYP1A2CYP3A4CYP2B6GAALMNA
SCHEMBL4078873 0.79 TSHR (0.42) CA1CA2CYP1A2CYP3A4CYP2B6
SCHEMBL5200323 0.77 CA1 (0.56) CA1CA2CYP1A2CYP3A4CYP2B6
SCHEMBL6284758 0.77 TYR (0.41) CA1CA2CYP1A2CYP3A4CYP2B6
SCHEMBL19704412 0.77 CYP1A2 (0.40) CA1CA2CYP1A2CYP3A4CYP2B6
SCHEMBL3429786 0.77 KDM4E (0.57) CYP1A2CYP3A4CYP2B6GABRA1GABRB2
SCHEMBL19704222 0.77 CYP1A2 (0.39) CA1CA2CYP1A2CYP3A4CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119751232-A Flavonoid derivative, preparation method thereof, pharmaceutical composition and application 深圳市人民医院 2025-04-04 CN claimed
CN-110862335-B Preparation method of VEGFR2 selective inhibitor SU1498 安莱博医药(苏州)有限公司 2022-03-15 CN claimed
CN-110862335-A Preparation method of VEGFR2 selective inhibitor SU1498 安莱博医药(苏州)有限公司 2020-03-06 CN claimed
CN-1589136-A Pharmaceutical and cosmetic compositions containing aromatic aldehydes bearing oxygen-containing groups CUTANIX CORP (US) 2005-03-02 CN claimed
US-20030157154-A1 Compositions containing hydroxy aromatic aldehydes and their use in treatments CUTANIX CORPORATION 2003-08-21 US claimed
JP-61218558-A None JP disclosed
JP-61012674-A None JP disclosed
JP-62029579-A None JP disclosed
JP-62039522-A None JP disclosed
CN-119751232-A Flavonoid derivative, preparation method thereof, pharmaceutical composition and application 深圳市人民医院 2025-04-04 CN disclosed
CN-114149311-B Method for preparing 4-hydroxybenzophenone compound by taking p-methylene quinone as substrate 上海应用技术大学 2023-11-03 CN disclosed
US-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2023-02-21 US disclosed
JP-S6239522-A ANTIENZYME KANEGAFUCHI CHEM IND CO LTD 1987-02-20 JP disclosed
JP-S6229579-A 4-THIAZOLINONE DERIVATIVE KANEGAFUCHI CHEM IND CO LTD 1987-02-07 JP disclosed
JP-S61218558-A 3,5-DIISOPROPYL-4-HYDROXYSTYRENE DERIVATIVE KANEGAFUCHI CHEM IND CO LTD 1986-09-29 JP disclosed
JP-S6112674-A NOVEL IMIDAZOLIDINEDIONE AND ANTIALLERGIC KANEGAFUCHI CHEM IND CO LTD 1986-01-21 JP disclosed
EP-0090506-A2 Lubricant compositions containing a dithiophosphoric acid ester-aldehyde reaction product MOBIL OIL CORPORATION (US) 1983-10-05 EP disclosed
US-4405470-A LUBRICANTS; OXIDATION AND WEAR RESISTANCE MOBIL OIL CORPORATION (US) 1983-09-20 US disclosed
US-4048171-A 1,4-Dihydropyridines BAYER AKTIENGESELLSCHAFT (DT) 1977-09-13 US disclosed
US-3966948-A Spasmolytic, vaso-dilating and anti-hypertensive compositions and methods BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 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 (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-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases RNASEH1, DNASE1, FEN1 CA1 4610/4885CA2 4586/4885CYP1A2 4393/4885
US-20030157154-A1 Compositions containing hydroxy aromatic aldehydes and their use in treatments TYR, HRH1, HRH2 CA1 4354/4885CA2 3996/4885CYP1A2 223/4885

“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.