SCHEMBL3013079

SCHEMBL3013079

COc1cccc2c1CCC2=CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
ABCB1 P08183 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ACHE P22303 1/20 0.42
NOTUM Q6P988 1/20 0.41
TYR P14679 1/20 0.39

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
SCHEMBL3013074 1.00 CYP19A1 (0.50) CYP19A1NPC1RAB9AKDM4ELMNA
SCHEMBL13611515 0.91 ABCB1 (0.52) CYP19A1NPC1RAB9AKDM4ELMNA
SCHEMBL20460341 0.90 CYP19A1 (0.60) CYP19A1NPC1RAB9AKDM4ELMNA
SCHEMBL6633781 0.84 MTNR1A (0.43) CYP19A1NPC1RAB9A
SCHEMBL12798476 0.82 CTDSP1 (0.56) CYP19A1NPC1RAB9AKDM4ELMNA
SCHEMBL4036453 0.81 KDM4E (0.39) CYP19A1NPC1RAB9AKDM4ELMNA
SCHEMBL4036458 0.81 KDM4E (0.39) CYP19A1NPC1RAB9AKDM4ELMNA
SCHEMBL6785053 0.80 RXRA (0.55) CYP19A1LMNAACHENOTUMTYR
SCHEMBL6785056 0.80 RXRA (0.55) CYP19A1LMNAACHENOTUMTYR
SCHEMBL6785050 0.80 RXRA (0.55) CYP19A1LMNAACHENOTUMTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906653-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER HEALTHCARE LLC (US) 2011-03-15 US disclosed
US-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation CANTIN LOUIS-DAVID 2010-08-12 US disclosed
EP-1578715-A2 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION Bayer Pharmaceuticals Corporation (US) 2005-09-28 EP disclosed
WO-2004058174-A2 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER PHARMACEUTICALS CORPORATION (US) 2004-07-15 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-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP CYP19A1 137/4885NPC1 300/4885RAB9A 2994/4885

“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.