SCHEMBL4281936

SCHEMBL4281936

OB(O)c1cc(Cl)ccc1OCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MRGPRX1 Q96LB2 2/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
THRB P10828 1/20 0.40
G6PD P11413 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
APP P05067 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL2562176 0.82 ALDH1A1 (0.41) ALDH1A1MRGPRX1MEN1MAPTKMT2A
SCHEMBL29955161 0.82 ALDH1A1 (0.41) ALDH1A1MRGPRX1MEN1MAPTKMT2A
SCHEMBL2006689 0.80 TSHR (0.53) ENPP2MEN1MAPTKMT2ACYP1A2
SCHEMBL265147 0.78 ALPL (0.40) ENPP2
SCHEMBL22000046 0.78 TDP1 (0.51) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL29955101 0.77 ENPP2 (0.44) ENPP2ALDH1A1MEN1MAPTKMT2A
SCHEMBL16348386 0.77 ENPP2 (0.44) ENPP2ALDH1A1MEN1MAPTKMT2A
SCHEMBL2635090 0.77 KDM4E (0.48) ENPP2ALDH1A1MEN1MAPTKMT2A
SCHEMBL20303521 0.76 MAPT (0.44) ALDH1A1MRGPRX1MEN1MAPTKMT2A
SCHEMBL412611 0.76 MRGPRX4 (0.44) ALDH1A1MEN1MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT ENPP2 69/4885ALDH1A1 1326/4885MRGPRX1 2796/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT ENPP2 66/4885ALDH1A1 1116/4885MRGPRX1 2581/4885

“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.