SCHEMBL3759024

SCHEMBL3759024

O=C(O)c1cc(-c2cccc(OCc3ccccc3)c2)on1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
HPGD P15428 1/20 0.66
PTPN1 P18031 1/20 0.61
SMPD1 P17405 1/20 0.60
MRGPRX4 Q96LA9 1/20 0.55
NR4A2 P43354 2/20 0.55
LMNA P02545 1/20 0.51
P4HTM Q9NXG6 1/20 0.50
NR1H4 Q96RI1 1/20 0.49
SRD5A2 P31213 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL1222200 0.87 SMPD1 (0.77) ALDH1A1HPGDPTPN1SMPD1NR4A2
SCHEMBL4791629 0.84 ALDH1A1 (0.73) ALDH1A1HPGDPTPN1
SCHEMBL1179647 0.80 ALDH1A1 (1.00) ALDH1A1HPGDPTPN1
SCHEMBL4896931 0.78 MRGPRX4 (0.53) ALDH1A1MRGPRX4NR4A2P4HTMNR1H4
SCHEMBL5620215 0.77 PTPN1 (1.00) ALDH1A1HPGDPTPN1
SCHEMBL71299 0.77 ALDH1A1 (1.00) ALDH1A1HPGDPTPN1
SCHEMBL71318 0.76 BRD4 (0.67) ALDH1A1HPGDSMPD1LMNA
SCHEMBL11902016 0.76 ALDH1A1 (0.69) ALDH1A1HPGDPTPN1
SCHEMBL72387 0.76 PTPN1 (0.78) ALDH1A1HPGDPTPN1
SCHEMBL68122 0.76 MRGPRX4 (0.54) PTPN1MRGPRX4NR4A2P4HTMNR1H4

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-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 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-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ALDH1A1 969/4885HPGD 503/4885PTPN1 4580/4885

“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.