SCHEMBL906443

SCHEMBL906443

c1ccc(-c2ccccc2Cn2ccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 15/20 1.00
CYP11B2 P19099 14/20 1.00
CYP17A1 P05093 1/20 0.61
CYP19A1 P11511 5/20 0.59
POLB P06746 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
MAPT P10636 1/20 0.59
TBXAS1 P24557 1/20 0.59
QPCT Q16769 1/20 0.59
CYP4Z1 Q86W10 1/20 0.59
QPCTL Q9NXS2 1/20 0.59

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
SCHEMBL9067044 0.97 CYP11B1 (0.94) CYP11B1CYP11B2CYP17A1CYP19A1POLB
SCHEMBL5545363 0.88 CYP11B1 (0.78) CYP11B1CYP11B2CYP17A1CYP19A1POLB
SCHEMBL30523908 0.84 CYP11B1 (0.76) CYP11B1CYP11B2CYP17A1CYP19A1POLB
SCHEMBL15179016 0.84 CYP11B1 (0.76) CYP11B1CYP11B2CYP17A1CYP19A1POLB
SCHEMBL30523909 0.84 CYP11B1 (0.76) CYP11B1CYP11B2CYP17A1CYP19A1POLB
SCHEMBL26613644 0.82 CYP11B1 (0.69) CYP11B1CYP11B2CYP17A1CYP19A1POLB
SCHEMBL6868756 0.82 CYP11B1 (0.68) CYP11B1CYP11B2CYP17A1CYP19A1POLB
SCHEMBL28781813 0.82 CYP11B1 (0.68) CYP11B1CYP11B2CYP17A1CYP19A1POLB
SCHEMBL20622756 0.79 CYP11B1 (0.66) CYP11B1CYP11B2CYP19A1POLBCYP1A2
SCHEMBL27824075 0.79 CYP19A1 (0.65) CYP11B1CYP11B2CYP19A1POLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848654-A Zinc complex with property of catalyzing photo-degradation of methyl orange dye and preparation method thereof 盐城师范学院 2020-10-30 CN claimed
EP-1904186-B1 STABLE SUNSCREEN COMPOSITIONS CONTAINING ZINC OXIDE AMCOL INTERNATIONAL CORP (US) 2009-11-04 EP claimed
EP-1324017-B1 Method to determine realistic UV protection factors or broad spectrum indexes COTY BV (NL) 2004-10-27 EP claimed
EP-3365819-B1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIV OF TECHNOLOGY (ZA) 2023-06-07 EP disclosed
EP-3365330-B1 PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 MANGOSUTHU UNIV OF TECHNOLOGY (ZA) 2023-06-07 EP disclosed
US-11548860-B2 Pharmacophores, compounds and methods having application in the treatment of cancer through inhibition of CYP17A1 and CYP19A1 MANGOSUTHU UNIVERSITY OF TECHNOLOGY (ZA) 2023-01-10 US disclosed
CN-108701171-B Pharmacophores, compounds and methods having application in the treatment of cancer by inhibition of CYP17a1 and CYP19a1 马古苏托科技大学 2022-06-10 CN disclosed
CN-108779085-B Pharmacophores, compounds and methods having application in the treatment of cancer by inhibition of CYP17a1 and CYP19a1 马古苏托科技大学 2022-03-22 CN disclosed
EP-3778693-A1 CURABLE RESIN COMPOSITION, ADHESIVE AGENT, ADHESIVE FILM, CIRCUIT SUBSTRATE, INTERLAYER INSULATING MATERIAL, AND PRINTED WIRING BOARD Sekisui Chemical Co., Ltd. (JP) 2021-02-17 EP disclosed
CN-111848654-A Zinc complex with property of catalyzing photo-degradation of methyl orange dye and preparation method thereof 盐城师范学院 2020-10-30 CN disclosed
CN-111848654-A Zinc complex with property of catalyzing photo-degradation of methyl orange dye and preparation method thereof 盐城师范学院 2020-10-30 CN disclosed
EP-1227086-A1 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-07-31 EP disclosed
EP-1082289-A1 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS Advanced Medicine, Inc. (US) 2001-03-14 EP disclosed
EP-1082289-A4 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS ADVANCED MEDICINE INC (US) 2001-03-14 EP disclosed
WO-1999066944-A9 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS ADVANCED MEDICINE INC (US) 2000-07-27 WO disclosed
WO-1999066944-A1 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-29 WO disclosed
EP-0646005-A4 METHODS FOR TREATING ARTERIOSCLEROSIS. HARVARD COLLEGE (US) 1996-03-27 EP disclosed
EP-0646005-A1 METHODS FOR TREATING ARTERIOSCLEROSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1995-04-05 EP disclosed
WO-1994018968-A1 METHODS FOR TREATING ARTERIOSCLEROSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1994-09-01 WO disclosed
US-5192758-A Antibiotics MERCK & CO., INC. (US) 1993-03-09 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 (1 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-11548860-B2 Pharmacophores, compounds and methods having application in the treatment of cancer through inhibition of CYP17A1 and CYP19A1 CYP19A1, CYP26A1, CYP21A2 CYP11B1 16/4885CYP11B2 32/4885CYP17A1 10/4885

“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.