SCHEMBL3772661

SCHEMBL3772661

O=c1cc(C(F)(F)F)c2c(O)cc(O)cc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HPGD P15428 4/20 0.58
HSD17B10 Q99714 4/20 0.58
CYP3A4 P08684 3/20 0.58
CASP1 P29466 2/20 0.58
CASP7 P55210 2/20 0.58
TSHR P16473 2/20 0.58
CA9 Q16790 1/20 0.58
HSD17B3 P37058 1/20 0.58
GAA P10253 5/20 0.58
MGAM O43451 5/20 0.58
SI P14410 3/20 0.58
MGAM2 Q2M2H8 3/20 0.58
MCL1 Q07820 1/20 0.57
MAP1LC3B Q9GZQ8 1/20 0.51
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPK1 P28482 2/20 0.49
MAOA P21397 5/20 0.49

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
SCHEMBL28305790 0.84 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10CYP3A4CASP1
SCHEMBL536984 0.80 ALDH1A1 (0.72) ALDH1A1HPGDHSD17B10CYP3A4CASP1
SCHEMBL3778782 0.74 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10CYP3A4CASP1
SCHEMBL30542658 0.74 MGAM (1.00) ALDH1A1HPGDHSD17B10CYP3A4CASP1
SCHEMBL9838561 0.74 MGAM (1.00) ALDH1A1HPGDHSD17B10CYP3A4CASP1
5,7-Dihydroxy-4-Methylcoumarin SCHEMBL403833 0.74 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10CYP3A4CASP1
5,7-Dihydroxy-4-Methylcoumarin SCHEMBL29431030 0.74 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10CYP3A4CASP1
SCHEMBL307508 0.73 HSD17B3 (1.00) ALDH1A1HPGDHSD17B10CASP1CASP7
SCHEMBL29648420 0.73 HSD17B3 (1.00) ALDH1A1HPGDHSD17B10CASP1CASP7
SCHEMBL504349 0.73 MGAM (0.74) ALDH1A1HPGDHSD17B10CYP3A4CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101896492-B Tetriacyclodipyranyl coumarins and the anti-HIV and anti-tuberculosis uses thereof INST OF MATARIA MEDICA CHINESE 2015-05-06 CN disclosed
EP-2216335-B1 TETRACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF INST MATERIA MEDICA CAMS (CN) 2014-03-12 EP disclosed
EP-2216335-B1 TETRACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF INST MATERIA MEDICA CAMS (CN) 2014-03-12 EP disclosed
CN-101100470-B Tetracyclic bispyranyl coumarin compounds INST MATERIA MEDICA CAMS 2013-02-13 CN disclosed
US-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-23 US disclosed
US-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-23 US disclosed
US-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-23 US disclosed
CN-101896492-A Tetriacyclodipyranyl coumarins and the anti-HIV and anti-tuberculosis uses thereof INST OF MATARIA MEDICA CHINESE 2010-11-24 CN disclosed
EP-2216335-A1 TETRIACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF Institute of Mataria Medica, Chinese Academy of Medical Sciences (CN) 2010-08-11 EP disclosed
EP-2216335-A1 TETRIACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF Institute of Mataria Medica, Chinese Academy of Medical Sciences (CN) 2010-08-11 EP disclosed
US-20020013478-A1 Calanolide analogues and methods of their use SARAWAK MEDICHEM PHARMACEUTICALS,INC. 2002-01-31 US disclosed
US-20010027209-A1 Method and composition for treating and preventing mycobacterium infections SARAWAK MEDICHEM PHARMACEUTICALS, INC. 2001-10-04 US disclosed
US-6277879-B1 VIRICIDES SARAWAK MEDICHEM PHARMACEUTICALS, INC. 2001-08-21 US disclosed
US-6268393-B1 CALANOLIDES AND ANALOGUES THEREOF SARAWAK MEDICHEM PHARMACEUTICALS 2001-07-31 US disclosed
US-5981770-A HIV REVERSE TRANSCRIPTASE INHIBITOR, VIRICIDE SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 1999-11-09 US disclosed
US-5977385-A VIRICIDES SARAWAK MEDICHEM PHARMACEUTICALS (US) 1999-11-02 US disclosed
US-5892060-A REVERSE TRANSCRIPTASE INHIBITOR; AIDS THERAPY SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 1999-04-06 US disclosed
US-5872264-A BENZO(1,2-B:5,6--B?)TRIPYRAN-2,12-DIONES SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 1999-02-16 US disclosed
US-5859050-A ADMINISTERING TO PREVENT OR TREAT A VIRAL INFECTION SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 1999-01-12 US disclosed
WO-1998038193-A1 METHOD FOR THE PREPARATION OF (+)-CALANOLIDE A AND ANALOGUES THEREOF MEDICHEM RESEARCH, INC. (US) 1998-09-03 WO 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 (3 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-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES TBCB, TBC1D15, TBC1D5 ALDH1A1 482/4885HPGD 1602/4885HSD17B10 159/4885
US-20010027209-A1 Method and composition for treating and preventing mycobacterium infections CYP51A1, DHCR7, CYP27A1 ALDH1A1 2628/4885HPGD 708/4885HSD17B10 125/4885
US-20020013478-A1 Calanolide analogues and methods of their use HAVCR2, ZC3HAV1, CYP51A1 ALDH1A1 3786/4885HPGD 2567/4885HSD17B10 659/4885

“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.