SCHEMBL3433008

SCHEMBL3433008

COc1ccccc1-n1cccc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MGLL Q99685 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
HPGD P15428 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ADRB1 P08588 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL16449094 0.77 GAA (0.55) GAAMEN1KMT2AMGLLALDH1A1
SCHEMBL7981999 0.76 GAA (0.58) GAAMEN1KMT2AMGLLALDH1A1
SCHEMBL17168504 0.75 ALDH1A1 (0.48) MEN1KMT2AMGLLALDH1A1MAPT
SCHEMBL27765467 0.75 GAA (1.00) GAAMEN1KMT2AMGLLALDH1A1
SCHEMBL21354434 0.74 ALDH1A1 (0.58) GAAMEN1KMT2AMGLLALDH1A1
SCHEMBL10904420 0.73 GAA (0.47) GAAMEN1KMT2AMGLLALDH1A1
SCHEMBL288756 0.73 GAA (0.51) GAAMEN1KMT2AMGLLALDH1A1
SCHEMBL29370031 0.73 GAA (0.51) GAAMEN1KMT2AMGLLALDH1A1
SCHEMBL29972265 0.73 GAA (0.51) GAAMEN1KMT2AMGLLALDH1A1
SCHEMBL19789501 0.73 GAA (0.51) GAAMEN1KMT2AMGLLALDH1A1

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
EP-2231595-B1 PHENYL ACETIC ACID DERIVATIVES AS INFLAMMATION MODULATORS AMGEN INC (US) 2014-04-23 EP disclosed
US-8183293-B2 Phenyl acetic acid derivatives AMGEN INC. (US) 2012-05-22 US disclosed
EP-2231595-A1 PHENYL ACETIC ACID DERIVATIVES AS INFLAMMATION MODULATORS Amgen, Inc (US) 2010-09-29 EP disclosed
US-7709655-B2 Clickphosphines for transition metal-catalyzed reactions THE PENN STATE RESEARCH FOUNDATION (US) 2010-05-04 US disclosed
US-20090275659-A1 Phenyl acetic acid derivatives as inflammation modulators AMGEN INC. (US) 2009-11-05 US disclosed
WO-2009085177-A1 PHENYL ACETIC ACID DERIVATIVES AS INFLAMMATION MODULATORS AMGEN INC. (US) 2009-07-09 WO disclosed
US-20070088166-A1 Clickphosphines for transition metal-catalyzed reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-04-19 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 (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-20070088166-A1 Clickphosphines for transition metal-catalyzed reactions WEE1, WEE2, ITK GAA 4281/4885MEN1 329/4885KMT2A 611/4885
US-20090275659-A1 Phenyl acetic acid derivatives as inflammation modulators NFKBIA, HCAR2, NFATC1 GAA 1249/4885MEN1 4781/4885KMT2A 1979/4885

“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.