SCHEMBL3799324

SCHEMBL3799324

C=CCc1cc(=O)oc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA9 Q16790 2/20 0.57
NQO1 P15559 1/20 0.51
CYP19A1 P11511 1/20 0.49
SRD5A1 P18405 1/20 0.47
KCNA3 P22001 1/20 0.46
RECQL P46063 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2A6 P11509 1/20 0.43
MAOA P21397 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B3 P37058 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL14264112 0.85 NQO1 (0.53) CA12CA1CA9NQO1CYP19A1
SCHEMBL294208 0.81 NQO1 (0.56) CA12CA1CA9NQO1CYP19A1
SCHEMBL3988879 0.81 NQO1 (0.53) CA12CA1CA9NQO1CYP19A1
SCHEMBL8816690 0.80 ALDH1A1 (0.54) CA12CA1CA9SRD5A1HPGD
SCHEMBL739294 0.80 HSD17B3 (0.68) CA12CA9CYP19A1HPGDHSD17B10
SCHEMBL5459900 0.79 CA12 (0.61) CA12CA1CA9NQO1CYP19A1
SCHEMBL8372531 0.79 HSD17B3 (0.62) CA12CA1CA9NQO1CYP19A1
SCHEMBL18138409 0.79 NQO1 (0.58) CA12CA1CA9NQO1CYP19A1
SCHEMBL30486066 0.79 CA12 (0.61) CA12CA1CA9NQO1CYP19A1
SCHEMBL4484990 0.79 AURKA (0.48) HPGDHSD17B10MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556138-B2 Method of treatment for acne and an anti-acne formulation Piramal Enterprises Limited (IN) 2017-01-31 US disclosed
US-20150335691-A1 PLANT EXTRACT OBTAINED FROM KIELMEYERA AUREOVINOSA WHICH HAS ANTIBIOTIC ACTIVITY, ISOLATED CHEMICAL COMPOUND, COMPOSITIONS COMPRISING SAME, USES THEREOF AND METHODS FOR PREVENTING AND TREATING BACTERIAL INFECTIONS EXTRACTA MOLÉCULAS NATURAIS S/A (BR) 2015-11-26 US disclosed
EP-2825164-A2 A METHOD OF TREATMENT FOR ACNE AND AN ANTI-ACNE FORMULATION Piramal Enterprises Limited (IN) 2015-01-21 EP disclosed
US-20150011619-A1 METHOD OF TREATMENT FOR ACNE AND AN ANTI-ACNE FORMULATION Piramal Enterprises Limited (IN) 2015-01-08 US disclosed
CN-104203229-A A method of treatment for acne and an anti-acne formulation PIRAMAL ENTPR LTD 2014-12-10 CN disclosed
EP-2735311-A1 PLANT EXTRACT OBTAINED FROM KIELMEYERA AUREOVINOSA WHICH HAS ANTIBIOTIC ACTIVITY, ISOLATED CHEMICAL COMPOUND, COMPOSITIONS COMPRISING SAME, USES THEREOF AND METHODS FOR PREVENTING AND TREATING BACTERIAL INFECTIONS Extracta Moléculas Naturais S/A (BR) 2014-05-28 EP disclosed
WO-2013164841-A2 A METHOD OF TREATMENT FOR ACNE AND AN ANTI-ACNE FORMULATION Piramal Enterprises Limited (IN) 2013-11-07 WO disclosed
US-7846965-B2 a non-steroidal sulphamate compound such as 6-Oxo-8,9,10,11-tetrahydro-7H-cyclohepta-[c][1]benzopyran-3-O-sulphamate, suitable for use as an inhibitor of estrone sulphatase, for the treatment of endocrine-dependent cancers and tumors, such as the breast and endometrium STERIX LIMITED (GB) 2010-12-07 US disclosed
US-20070173531-A1 Compound REED MICHAEL J 2007-07-26 US disclosed
US-7202272-B2 Compound STERIX, LTD. (GB) 2007-04-10 US disclosed
US-6921776-B1 Compound STERIX LIMITED (GB) 2005-07-26 US disclosed
US-20050154050-A1 Compound REED MICHAEL J (GB) 2005-07-14 US disclosed
EP-1308448-A1 Method for the preparation of chromanone Sarawak Medichem Pharmaceuticals Inc. (US) 2003-05-07 EP disclosed
EP-0775130-B1 METHOD FOR THE PREPARATION OF (+/-)-CALANOLIDE A AND INTERMEDIATES THEREOF SARAWAK MEDICHEM PHARMACEUTICALS INC (US) 2003-05-02 EP disclosed
EP-1054007-A2 Method for the preparation of (+/-)-calanolide A MEDICHEM RESEARCH, INC. (US) 2000-11-22 EP disclosed
EP-0050396-B1 COUMARIN INTERMEDIATES BEECHAM GROUP PLC (GB) 1984-12-27 EP disclosed
EP-0010392-B1 HETEROCYCLIC COUMARIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID DERIVATIVES BEECHAM GROUP PLC (GB) 1982-12-29 EP disclosed
EP-0050396-A1 Coumarin intermediates BEECHAM GROUP PLC (GB) 1982-04-28 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 (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-20150335691-A1 PLANT EXTRACT OBTAINED FROM KIELMEYERA AUREOVINOSA WHICH HAS ANTIBIOTIC ACTIVITY, ISOLATED CHEMICAL COMPOUND, COMPOSITIONS COMPRISING SAME, USES THEREOF AND METHODS FOR PREVENTING AND TREATING BACTERIAL INFECTIONS AAAS, AK1, ICMT CA12 3519/4885CA1 4322/4885CA9 929/4885
US-20070173531-A1 Compound HSD17B11, NR5A1, CYP17A1 CA12 864/4885CA1 187/4885CA9 519/4885
US-20050154050-A1 Compound HSD17B11, NR5A1, CYP17A1 CA12 864/4885CA1 187/4885CA9 519/4885
US-20150011619-A1 METHOD OF TREATMENT FOR ACNE AND AN ANTI-ACNE FORMULATION PROC, HSD17B10, CYP19A1 CA12 3562/4885CA1 4847/4885CA9 3840/4885

“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.