SCHEMBL5951582

SCHEMBL5951582

CC[Sn](CC)(CC)c1cc(F)cc(F)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
IDO1 P14902 2/20 0.31

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
SCHEMBL4671190 0.77 TRPV1 (0.30)
SCHEMBL5041782 0.69 CA12 (0.38) CA12CA1CA9
SCHEMBL449836 0.65
SCHEMBL148110 0.63 IDO1 (0.46) CA12CA1CA9IDO1
Methyl Alcohol SCHEMBL27837464 0.62 CA9 (0.60) CA12CA1CA9IDO1
Methylamine SCHEMBL27864015 0.62 CA12 (0.50) CA12CA1CA9IDO1
SCHEMBL5251885 0.61 IDO1 (0.50) CA12CA1CA9IDO1
SCHEMBL29032005 0.61 CA12 (0.57) CA12CA1CA9IDO1
SCHEMBL28455177 0.61 CA12 (0.57) CA12CA1CA9IDO1
SCHEMBL30577822 0.61 CA12 (0.57) CA12CA1CA9IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1762957-B 2,3-dihydro-1-indene compound and preparation method thereof BASELL POLYOLEFINE GMBH 2010-05-12 CN disclosed
CN-100451024-C Metallocene compound, indene compound and application thereof BASELL POLYOLEFINE GMBH (DE) 2009-01-14 CN disclosed
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
CN-1763060-A Metallocene compound, indene compound and application thereof BASELL POLYOLEFINE GMBH (DE) 2006-04-26 CN disclosed
CN-1762957-A 2,3-dihydro-1-indene compound and preparation method thereof BASELL POLYOLEFINE GMBH (DE) 2006-04-26 CN disclosed
CN-1231431-C Process for preparing substituted 2, 3-dihydro-1-indanones TARGOR GMBH (DE) 2005-12-14 CN disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 US disclosed
CN-1254328-A Process for preparing substituted 2, 3-dihydro-1-indanones TARGOR GMBH (DE) 2000-05-24 CN 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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A CA12 3977/4885CA1 3547/4885CA9 3552/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 CA12 3969/4885CA1 3105/4885CA9 3446/4885

“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.