SCHEMBL5952708

SCHEMBL5952708

Cc1ccccc1-c1ccc(P(c2ccc(-c3ccccc3C)cc2)c2ccc(-c3ccccc3C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.55
CA9 Q16790 2/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
MCL1 Q07820 1/20 0.44
TRPA1 O75762 1/20 0.43
CTSD P07339 1/20 0.43
BACE1 P56817 1/20 0.43
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
CYP3A4 P08684 3/20 0.42
HTR7 P34969 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRIA1 P42261 1/20 0.41
CACNG8 Q8WXS5 1/20 0.41
LCK P06239 1/20 0.41
KDR P35968 1/20 0.41
JAK3 P52333 1/20 0.41
MAPK14 Q16539 1/20 0.41
AR P10275 1/20 0.41

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
SCHEMBL3633054 0.85 CA12 (0.61) CA12CA9CA1CA2MCL1
SCHEMBL29551674 0.85 CA12 (0.61) CA12CA9CA1CA2MCL1
SCHEMBL4541662 0.83 CA12 (0.59) CA12CA9CA1CA2MCL1
SCHEMBL29551646 0.83 CA12 (0.59) CA12CA9CA1CA2MCL1
SCHEMBL3294993 0.78 CA12 (0.55) CA12CA9CA1CA2MCL1
SCHEMBL1047559 0.78 CA12 (0.55) CA12CA9CA1CA2MCL1
Tannin Pyrogallol SCHEMBL28281926 0.78 CA12 (0.55) CA12CA9CA1CA2MCL1
SCHEMBL616 0.78 ESR2 (0.54) CA12CA9CA1CA2MCL1
SCHEMBL30612770 0.78 CA12 (0.54) CA12CA9CA1CA2MCL1
SCHEMBL29706107 0.78 ESR2 (0.54) CA12CA9CA1CA2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US 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
EP-0968158-A1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM Basell Polyolefine GmbH (DE) 2000-01-05 EP disclosed
WO-1998040331-A1 PREPARATION OF PREPARING SUBSTITUTED INDANONES TARGOR GMBH (DE) 1998-09-17 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 (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 3977/4885CA9 3552/4885CA1 3547/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 CA12 3969/4885CA9 3446/4885CA1 3105/4885

“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.