SCHEMBL334524

SCHEMBL334524

CCOC(=O)c1ccc(O)c(C)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.77
CA1 P00915 6/20 0.77
CA2 P00918 6/20 0.77
CA7 P43166 6/20 0.77
CA9 Q16790 6/20 0.77
CA14 Q9ULX7 6/20 0.77
HSD17B2 P37059 1/20 0.68
ESR1 P03372 2/20 0.61
ESR2 Q92731 1/20 0.61
CYP3A4 P08684 2/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
MAOA P21397 1/20 0.55
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
HCRTR1 O43613 1/20 0.50
PTPN11 Q06124 1/20 0.50
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL9561324 0.91 CA1 (0.64) CA12CA1CA2CA7CA9
SCHEMBL29625511 0.87 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL39791 0.87 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL28659596 0.86 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL190407 0.85 CA12 (0.77) CA12CA1CA2CA7CA9
Water SCHEMBL16678551 0.85 CA12 (0.96) CA12CA1CA2CA7CA9
SCHEMBL12761208 0.85 ESR1 (0.71) CA12CA1CA2CA7CA9
SCHEMBL31194402 0.85 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL571193 0.85 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL10570974 0.84 CA12 (0.74) CA12CA1CA2CA7CA9

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113748021-B Method for producing liquid crystal polyester processed product 本州化学工业株式会社 2024-07-05 CN claimed
CN-113748021-B Method for producing liquid crystal polyester processed product 本州化学工业株式会社 2024-07-05 CN disclosed
US-20210171883-A1 ANTIVIRAL WIPER FUJIFILM CORPORATION (JP) 2021-06-10 US disclosed
US-20170110732-A1 SECONDARY CELL RICOH COMPANY, LTD. (JP) 2017-04-20 US disclosed
CN-101296914-B Derivatives with PPAR agonist activity SHIONOGI & CO 2012-07-18 CN disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-RE43098-E1 Nitrogenous heterocyclic compounds and process for making nitrogenous heterocyclic compounds and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
EP-1366133-B1 NOVEL METHODS AND BLENDS FOR CONTROLLING REHOLOGY AND TRANSITION TEMPERATURE OF LIQUID CRYSTALS SOUTHWEST RES INST (US) 2010-03-24 EP disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
CN-101296914-A Derivatives with PPAR agonist activity SHIONOGI & CO (JP) 2008-10-29 CN disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP disclosed
CN-1027065-C Tetralin esters of phenols or benzoic acids ALLERGAN INC (US) 1994-12-21 CN disclosed
CN-1082023-A The medicine and the novel benzoic acid derivative that contain benzoic acid derivative YAMANOUCHI PHARMA CO LTD (JP) 1994-02-16 CN disclosed
EP-0337689-B1 TETRALIN ESTERS OF PHENOLS OR BENZOIC ACIDS HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC (US) 1993-03-10 EP disclosed
US-5130335-A Treatment of skin disorders ALLERGAN, INC. (US) 1992-07-14 US disclosed
CN-1038092-A The preparation method of the tetraline ester of phenol or benzoic acids ALLERGAN INC (US) 1989-12-20 CN disclosed
EP-0337689-A1 Tetralin esters of phenols or benzoic acids having retinoid like activity ALLERGAN, INC (US) 1989-10-18 EP disclosed
US-4259338-A Benzofuranyl-tetrahydropyridines and -piperidines, their acid addition salts and antidepressant preparations thereof CIBA-GEIGY CORPORATION (US) 1981-03-31 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-20210171883-A1 ANTIVIRAL WIPER CGAS, PRKX, PDE4C CA12 2396/4885CA1 2414/4885CA2 1789/4885
US-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG CA12 4486/4885CA1 4725/4885CA2 4009/4885

“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.