SCHEMBL5337591

SCHEMBL5337591

O=Cc1cc(-c2cccc3ccccc23)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.60
▸ ACMSD Q8TDX5 1/20 0.60
▸ ERN1 O75460 17/20 0.59
▸ TLR8 Q9NR97 1/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45

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
SCHEMBL7166417 0.92 MCL1 (0.52) MCL1ACMSDERN1TLR8CA12
SCHEMBL31017149 0.88 ERN1 (0.53) MCL1ACMSDERN1TLR8
SCHEMBL5340123 0.88 MCL1 (0.56) MCL1ACMSDERN1TLR8CA12
SCHEMBL12989293 0.84 ERN1 (0.53) ERN1
SCHEMBL16058511 0.82 ERN1 (0.51) MCL1ACMSDERN1
SCHEMBL30462312 0.80 ERN1 (0.55) ERN1
SCHEMBL3972531 0.80 ERN1 (0.53) MCL1ACMSDERN1
SCHEMBL28350260 0.80 APP (0.67) MCL1ACMSDTLR8CA12CA1
SCHEMBL29744510 0.80 APP (0.67) MCL1ACMSDTLR8CA12CA1
SCHEMBL17509379 0.79 ERN1 (0.46) MCL1ACMSDERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990011988-A1 SUBSTITUTED 1-PHENYLNAPHTHALENES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-10-18 — — WO claimed
CN-100354283-C Covalently fixed non-metallocenes, method for the production thereof and their use for polymerizing olefins CELANESE VENTURES GMBH (DE) 2007-12-12 — — CN disclosed
US-7157398-B2 Covalently fixed nonmetallocenes, process for preparing them and their use for the polymerization of olefins CELANESE VENTURES GMBH (DE) 2007-01-02 — — US disclosed
CN-1642962-A Covalently bound non-metallocenes, method for the production thereof and use thereof in the polymerization of olefins CELANESE VENTURES GMBH (DE) 2005-07-20 — — CN disclosed
US-20050148461-A1 Covalently fixed nonmetallocenes, process for preparing them and their use for the polymerization of olefins CELANESE VENTURES GMBH (DE) 2005-07-07 — — US disclosed
US-6872843-B2 Non-metallocene compounds, method for the production thereof and use of the same for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2005-03-29 — — US disclosed
US-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins EQUISTAR CHEMICALS, LP 2004-02-05 — — US disclosed
WO-1990011988-A1 SUBSTITUTED 1-PHENYLNAPHTHALENES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-10-18 — — 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 (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-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins SOAT2, NOTUM, SOAT1 MCL1 724/4885ACMSD 955/4885ERN1 2212/4885

“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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