SCHEMBL7753225

SCHEMBL7753225

COC=C(Oc1cccc(COc2ccc(C#N)cc2)c1C(=O)O)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
MAOB P27338 1/20 0.37
PDCD1 Q15116 4/20 0.37
CD274 Q9NZQ7 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
XDH P47989 1/20 0.36
RAB9A P51151 1/20 0.36
SMPD1 P17405 1/20 0.36
FFAR1 O14842 1/20 0.36
SCN9A Q15858 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7753222 1.00 PTGER4 (0.41) PTGER4CYP11B1CYP11B2MAOBPDCD1
SCHEMBL7754227 0.89 RAB9A (0.42) PTGER4L3MBTL1RAB9AFFAR1PPARG
SCHEMBL7754221 0.89 RAB9A (0.42) PTGER4L3MBTL1RAB9AFFAR1PPARG
SCHEMBL7754241 0.89 FOLH1 (0.40) PTGER4L3MBTL1RAB9AFFAR1PPARG
SCHEMBL7754234 0.89 FOLH1 (0.40) PTGER4L3MBTL1RAB9AFFAR1PPARG
SCHEMBL7753573 0.89 FFAR1 (0.40) PTGER4FFAR1PPARGPPARAALDH1A1
SCHEMBL7753580 0.89 FFAR1 (0.40) PTGER4FFAR1PPARGPPARAALDH1A1
SCHEMBL7753650 0.88 SMN1; SMN2 (0.43) PTGER4L3MBTL1RAB9AFFAR1PPARA
SCHEMBL7753646 0.88 SMN1; SMN2 (0.43) PTGER4L3MBTL1RAB9AFFAR1PPARA
SCHEMBL7755669 0.88 NR1H2 (0.36) PTGER4CYP11B1CYP11B2PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010029239-A1 New herbicidal compositions CRAMP MICHAEL COLIN (GB) 2001-10-11 US disclosed
WO-2001047863-A2 NEW HERBICIDAL COMPOSITIONS AVENTIS CROPSCIENCE SA (FR) 2001-07-05 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-20010029239-A1 New herbicidal compositions DDT, CYP1B1, CYP4X1 PTGER4 3740/4885CYP11B1 342/4885CYP11B2 588/4885

“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.