SCHEMBL12809079

SCHEMBL12809079

Cc1ccc(C)c(CCO)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GFER P55789 1/20 0.41
OPRK1 P41145 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 2/20 0.37
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
TKT P29401 11/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL22853883 0.82 KDM4E (0.65) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL29672807 0.82 KDM4E (0.65) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL11039067 0.81 KDM4E (0.48) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL10392770 0.80 KDM4E (0.42) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL25835676 0.78 ALDH1A1 (0.41) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL7127321 0.77 KDM4E (0.46) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL20038562 0.75 KDM4E (0.38) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL10025403 0.74 KCNH2 (0.46) KDM4EALDH1A1HSD17B10KMT2AADORA2A
SCHEMBL929424 0.73 KDM4E (0.43) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL18806278 0.73 KDM4E (0.43) KDM4EALDH1A1HPGDUSP2HSD17B10

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
EP-1578715-B1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER PHARMACEUTICALS CORP (US) 2011-03-02 EP 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
US-7714004-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2010-05-11 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 (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 KDM4E 3156/4885ALDH1A1 51/4885HPGD 306/4885

“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.