SCHEMBL1180429

SCHEMBL1180429

COc1ccc(-c2cccc(-c3ccc(OC)cc3)c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.83
ABCB1 P08183 3/20 0.83
BCR P11274 3/20 0.83
CYP1A1 P04798 2/20 0.67
CYP1A2 P05177 2/20 0.67
CYP2E1 P05181 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2C8 P10632 2/20 0.67
CYP2D6 P10635 2/20 0.67
CYP2A6 P11509 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP4B1 P13584 2/20 0.67
CYP2B6 P20813 2/20 0.67
CYP3A5 P20815 2/20 0.67
CYP2A7 P20853 2/20 0.67
CYP3A7 P24462 2/20 0.67
CYP2F1 P24903 2/20 0.67
CYP2C18 P33260 2/20 0.67
CYP2C19 P33261 2/20 0.67
CYP2J2 P51589 2/20 0.67

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
SCHEMBL27649742 0.95 ABL1 (0.77) ABL1ABCB1BCRCYP1A1CYP1A2
SCHEMBL27399871 0.93 ABL1 (0.74) ABL1ABCB1BCRCYP1A1CYP1A2
SCHEMBL1181204 0.93 ABL1 (0.81) ABL1ABCB1BCRCYP1A1CYP1A2
SCHEMBL12871359 0.91 ABL1 (0.71) ABL1ABCB1BCRCYP1A1CYP1A2
SCHEMBL792197 0.91 ABL1 (0.77) ABL1ABCB1BCRCYP1A1CYP1A2
SCHEMBL1180412 0.91 ABL1 (0.77) ABL1ABCB1BCRCYP1A1CYP1A2
SCHEMBL20022136 0.89 ABL1 (0.69) ABL1ABCB1BCRCYP1A1CYP1A2
SCHEMBL20022108 0.89 ABL1 (0.69) ABL1ABCB1BCRCYP1A1CYP1A2
SCHEMBL28102062 0.88 ABL1 (0.73) ABL1ABCB1BCRCYP1A1CYP1A2
SCHEMBL20022095 0.88 ABL1 (0.72) ABL1ABCB1BCRCYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150919-A1 Method for Producing Mono-Cross-Coupled Aromatic Compound Having Leaving Group NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2023-05-18 US disclosed
US-20230150919-A1 Method for Producing Mono-Cross-Coupled Aromatic Compound Having Leaving Group NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2023-05-18 US disclosed
CN-114621045-A Method for synthesizing polyaromatic hydrocarbon from aryl formaldehyde 长沙资材科技有限公司 2022-06-14 CN disclosed
EP-1306131-B1 Cross-coupling process using a catalyst comprising a cyclic nitrogen ligand SUMITOMO CHEMICAL CO (JP) 2016-12-07 EP disclosed
US-8394468-B2 Polymerizable compound and liquid crystal composition including it JNC CORPORATION (JP) 2013-03-12 US disclosed
US-8394468-B2 Polymerizable compound and liquid crystal composition including it JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT JNC PETROCHEMICAL CORPORATION (JP) 2012-04-19 US disclosed
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT JNC PETROCHEMICAL CORPORATION (JP) 2012-04-19 US disclosed
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US disclosed
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US disclosed
EP-2190421-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2010-06-02 EP disclosed
WO-2009027346-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-03-05 WO disclosed
WO-2009027346-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-03-05 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-20230150919-A1 Method for Producing Mono-Cross-Coupled Aromatic Compound Having Leaving Group DDC, PAH, ATIC ABL1 331/4885ABCB1 1329/4885BCR 187/4885
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES HSD17B1, HSD17B11, HSD17B2 ABL1 3119/4885ABCB1 1384/4885BCR 2990/4885
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT KLK3, PDE7A, FZD7 ABL1 2529/4885ABCB1 4164/4885BCR 1157/4885

“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.