SCHEMBL3743494

SCHEMBL3743494

COc1ccc(-c2cc(-c3ccc(OC)cc3)cc(-c3ccc(OC)cc3)c2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.71
▸ ABCB1 P08183 4/20 0.71
▸ BCR P11274 4/20 0.71
▸ MAPK1 P28482 2/20 0.70
▸ NPC1 O15118 1/20 0.70
▸ TP53 P04637 1/20 0.70
▸ CASP3 P42574 1/20 0.70
▸ RAB9A P51151 1/20 0.70
▸ SMN1; SMN2 Q16637 1/20 0.70
▸ SENP8 Q96LD8 1/20 0.70
▸ SENP7 Q9BQF6 1/20 0.70
▸ SENP6 Q9GZR1 1/20 0.70
▸ CA1 P00915 2/20 0.65
▸ CA2 P00918 2/20 0.65
▸ CA7 P43166 2/20 0.65
▸ CA9 Q16790 2/20 0.65
▸ CA12 O43570 1/20 0.65
▸ CA14 Q9ULX7 1/20 0.65
▸ ESR2 Q92731 1/20 0.64
▸ HSD17B1 P14061 1/20 0.60

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
SCHEMBL920933 1.00 ABL1 (0.71) ABL1ABCB1BCRMAPK1NPC1
SCHEMBL9151672 0.91 CA1 (0.79) ABL1ABCB1BCRMAPK1NPC1
SCHEMBL197522 0.91 CA1 (0.79) ABL1ABCB1BCRMAPK1NPC1
SCHEMBL6733562 0.91 CA1 (0.79) ABL1ABCB1BCRMAPK1NPC1
SCHEMBL28102062 0.90 ABL1 (0.73) ABL1ABCB1BCRMAPK1NPC1
SCHEMBL19301040 0.90 ABL1 (0.61) ABL1ABCB1BCRMAPK1NPC1
SCHEMBL2274524 0.89 ABL1 (0.79) ABL1ABCB1BCRMAPK1NPC1
SCHEMBL24462151 0.88 ABL1 (0.59) ABL1ABCB1BCRMAPK1NPC1
SCHEMBL22229667 0.88 ABL1 (0.59) ABL1ABCB1BCRMAPK1NPC1
SCHEMBL15679887 0.88 ABL1 (0.59) ABL1ABCB1BCRMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180051048-A1 POROUS POLYMER COMPOUND, METHOD OF SEPARATING COMPOUND TO BE SEPARATED, SINGLE CRYSTALS, METHOD OF PRODUCING SAMPLE FOR CRYSTAL STRUCTURE ANALYSIS, METHOD OF DETERMINING MOLECULAR STRUCTURE OF COMPOUND TO BE ANALYZED, AND METHOD OF DETERMINING ABSOLUTE CONFIGURATION OF CHIRAL COMPOUND THE UNIVERSITY OF TOKYO (JP) 2018-02-22 — — US disclosed
US-8664289-B2 Dye and coloring photosensitive composition ADEKA CORPORATION (JP) 2014-03-04 — — US disclosed
US-8664289-B2 Dye and coloring photosensitive composition ADEKA CORPORATION (JP) 2014-03-04 — — US disclosed
EP-2620476-A1 PIGMENT AND COLORED PHOTOSENSITIVE COMPOSITION Adeka Corporation (JP) 2013-07-31 — — EP disclosed
US-20130041062-A1 DYE AND COLORING PHOTOSENSITIVE COMPOSITION ADEKA CORPORATION (JP) 2013-02-14 — — US disclosed
US-20130041062-A1 DYE AND COLORING PHOTOSENSITIVE COMPOSITION ADEKA CORPORATION (JP) 2013-02-14 — — US disclosed
US-7833690-B2 Photoacid generators and lithographic resists comprising the same THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2010-11-16 — — US disclosed
US-20070117043-A1 Photoacid generators and lithographic resists comprising the same NATIONAL SCIENCE FOUNDATION 2007-05-24 — — US disclosed
US-5344980-A Process for the preparation of 1,3,5-tris(4'-hydroxyaryl)benzene HOECHST CELANESE CORP. (US) 1994-09-06 — — US disclosed
US-5300698-A Process for the prepartion of 1,3,5-tris(4'-hydroxyaryl)benzene HOECHST CELANESE CORPORATION (US) 1994-04-05 — — 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 (2 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-20130041062-A1 DYE AND COLORING PHOTOSENSITIVE COMPOSITION IK, CRY1, ABCG2 ABL1 2492/4885ABCB1 353/4885BCR 2906/4885
US-20180051048-A1 POROUS POLYMER COMPOUND, METHOD OF SEPARATING COMPOUND TO BE SEPARATED, SINGLE CRYSTALS, METHOD OF PRODUCING SAMPLE FOR CRYSTAL STRUCTURE ANALYSIS, METHOD OF DETERMINING MOLECULAR STRUCTURE OF COMPOUND TO BE ANALYZED, AND METHOD OF DETERMINING ABSOLUTE CONFIGURATION OF CHIRAL COMPOUND OSTC, SORD, SOST ABL1 4878/4885ABCB1 973/4885BCR 3768/4885

“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.

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