SCHEMBL9009753

SCHEMBL9009753

c1ccc(SCc2ccc3ccccc3c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
CYP2A6 P11509 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
PDE7A Q13946 1/20 0.47
DAO P14920 1/20 0.46
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2E1 P05181 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2B6 P20813 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL29402141 1.00 CYP1A2 (0.50) CYP1A2CYP2A6CA12CA1CA2
SCHEMBL31307788 0.85 DAO (0.45) CYP1A2CYP2A6CA12CA1CA2
SCHEMBL5376438 0.85 ALDH1A1 (0.54) CYP1A2CYP2A6CA12CA1CA2
SCHEMBL29026472 0.85 ALOX5 (0.49) CYP1A2CYP2A6CA12CA1CA2
SCHEMBL31307765 0.85 CYP1A2 (0.44) CYP1A2CYP2A6CA12CA1CA2
SCHEMBL6057087 0.82 MAOA (0.58) DAOCYP3A4HSD17B10SMN1; SMN2SLC6A4
SCHEMBL5101101 0.81 CYP1A2 (0.53) CYP1A2CYP2A6CA12CA1CA2
SCHEMBL10055053 0.80 ALDH1A1 (0.57) KMT2AALDH1A1HPGDHSD17B10MAPK1
SCHEMBL9456940 0.79 LMNA (0.60) CYP1A2CYP2A6CA12CA1CA2
SCHEMBL31122366 0.78 SMN1; SMN2 (0.55) CYP1A2CYP2A6CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530663-B1 Heat sensitive recording material HODOGAYA CHEMICAL CO LTD (JP) 1996-11-06 EP claimed
US-5240898-A Colorless, or light-colored, electron donative dyestuff, acidic reactant, binder and arylthionaphthalene compound HODOGAYA CHEMICAL CO., LTD. (JP) 1993-08-31 US claimed
EP-0530663-A1 Heat sensitive recording material HODOGAYA CHEMICAL CO., LTD. (JP) 1993-03-10 EP claimed
JP-5058039-A None JP disclosed
US-10710061-B2 Ion pair catalysis of tungstate and molybdate NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-14 US disclosed
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2019-04-11 US disclosed
WO-2017164813-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2017-09-28 WO disclosed
US-20100137608-A1 POLY-N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES AND N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES FOR CARBON-SULFUR AND CARBON-OXYGEN COUPLING REACTIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-06-03 US disclosed
EP-0530663-B1 Heat sensitive recording material HODOGAYA CHEMICAL CO LTD (JP) 1996-11-06 EP disclosed
US-5240898-A Colorless, or light-colored, electron donative dyestuff, acidic reactant, binder and arylthionaphthalene compound HODOGAYA CHEMICAL CO., LTD. (JP) 1993-08-31 US disclosed
US-5240898-A Colorless, or light-colored, electron donative dyestuff, acidic reactant, binder and arylthionaphthalene compound HODOGAYA CHEMICAL CO., LTD. (JP) 1993-08-31 US disclosed
EP-0530663-A1 Heat sensitive recording material HODOGAYA CHEMICAL CO., LTD. (JP) 1993-03-10 EP disclosed
EP-0530663-A1 Heat sensitive recording material HODOGAYA CHEMICAL CO., LTD. (JP) 1993-03-10 EP disclosed
JP-H0558039-A HEAT-SENSITIVE RECORDING MATERIAL HODOGAYA CHEM CO LTD 1993-03-09 JP 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-20100137608-A1 POLY-N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES AND N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES FOR CARBON-SULFUR AND CARBON-OXYGEN COUPLING REACTIONS SCO2, CYCS, NCLN CYP1A2 2587/4885CYP2A6 3554/4885CA12 159/4885
US-10710061-B2 Ion pair catalysis of tungstate and molybdate PRDX3, PRDX4, PRDX2 CYP1A2 1800/4885CYP2A6 918/4885CA12 1662/4885
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE PRDX3, PRDX4, PRDX6 CYP1A2 1967/4885CYP2A6 727/4885CA12 1678/4885

“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.