SCHEMBL2139852

SCHEMBL2139852

O=C1c2ccccc2CCC1C(c1ccccc1)C(C(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
CYP19A1 P11511 3/20 0.46
SIGMAR1 Q99720 5/20 0.41
DRD2 P14416 4/20 0.41
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
HTR2B P41595 4/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
ACHE P22303 2/20 0.40
HTR1A P08908 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGS2 P35354 1/20 0.39
ALOX15 P16050 1/20 0.39
XIAP P98170 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
SCHEMBL8878719 0.83 KDM4E (0.40) KDM4ECYP19A1SIGMAR1DRD2HTR2A
SCHEMBL820846 0.82 ACHE (0.42) KDM4ECYP19A1ALDH1A1TSHRHSD17B10
SCHEMBL820213 0.82 ACHE (0.42) KDM4ECYP19A1ALDH1A1TSHRHSD17B10
SCHEMBL10388746 0.80 KDM4E (0.57) KDM4ECYP19A1SIGMAR1DRD2HTR2A
SCHEMBL15294423 0.80 KDM4E (0.64) KDM4ECYP19A1SIGMAR1DRD2HTR2A
SCHEMBL10448555 0.80 KDM4E (0.45) KDM4ECYP19A1SIGMAR1DRD2HTR2A
SCHEMBL10450126 0.80 KDM4E (0.45) KDM4ECYP19A1SIGMAR1DRD2HTR2A
SCHEMBL9348192 0.78 KDM4E (0.52) KDM4ECYP19A1SIGMAR1DRD2HTR2A
SCHEMBL8877425 0.76 HTR2C (0.41) KDM4ESIGMAR1DRD2HTR2AHTR2C
SCHEMBL9345561 0.75 KDM4E (0.49) KDM4ECYP19A1SIGMAR1DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258477-B1 CATALYST AND MICHAEL ADDITION REACTION PROCESS JAPAN SCIENCE & TECH AGENCY (JP) 2015-03-25 EP disclosed
US-8222177-B2 Catalyst and reaction process JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-07-17 US disclosed
US-20110054190-A1 CATALYST AND REACTION PROCESS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-03 US disclosed
EP-2258477-A1 CATALYST AND REACTION PROCESS Japan Science and Technology Agency (JP) 2010-12-08 EP disclosed
WO-2009096409-A1 CATALYST AND REACTION PROCESS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-08-06 WO disclosed
WO-2009096409-A1 CATALYST AND REACTION PROCESS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-08-06 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-20110054190-A1 CATALYST AND REACTION PROCESS ME1, MAL2, ME2 KDM4E 2954/4885CYP19A1 365/4885SIGMAR1 981/4885

“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.