SCHEMBL1400322

SCHEMBL1400322

CCCc1cc(C#N)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
MRGPRX4 Q96LA9 5/20 0.48
GAA P10253 1/20 0.46
HTR1A P08908 2/20 0.45
DRD2 P14416 2/20 0.45
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
PTGER1 P34995 2/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
MTNR1A P48039 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ABCB1 P08183 2/20 0.42

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
SCHEMBL1978691 0.89 MAOB (0.55) MAOBMRGPRX4GAAHTR1ADRD2
SCHEMBL8409660 0.89 HTR1A (0.59) MAOBMRGPRX4HTR1ADRD2PTGER1
SCHEMBL6554874 0.83 MAOB (0.55) MAOBMRGPRX4HTR1ADRD2PTGER1
SCHEMBL8676493 0.83 MAOB (0.55) MAOBMRGPRX4HTR1ADRD2PTGER1
SCHEMBL6212565 0.83 MAOB (0.55) MAOBMRGPRX4HTR1ADRD2PTGER1
SCHEMBL6702536 0.80 ELANE (0.52) GAAHTR1ADRD2PTGER1PTGER4
SCHEMBL5089104 0.80 MAOB (0.51) MAOBMRGPRX4GAAHTR1ADRD2
SCHEMBL5089130 0.80 MRGPRX4 (0.53) MAOBMRGPRX4PTGER1PTGER4PTGER3
Hydrochloric Acid SCHEMBL5098921 0.78 MRGPRX4 (0.52) MAOBMRGPRX4PTGER1PTGER4PTGER3
SCHEMBL3490042 0.78 MAOB (0.57) MAOBMRGPRX4HTR1AKDM4EALDH1A1

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
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-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
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-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
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
US-20060084680-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2006-04-20 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 (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-20060084680-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP MAOB 457/4885MRGPRX4 3775/4885GAA 153/4885
US-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP MAOB 457/4885MRGPRX4 3775/4885GAA 153/4885

“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.