SCHEMBL7754227

SCHEMBL7754227

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
NPC1 O15118 3/20 0.41
ATM Q13315 1/20 0.41
PPARA Q07869 4/20 0.40
ANO1 Q5XXA6 1/20 0.40
POLB P06746 1/20 0.40
PTGER4 P35408 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL7754221 1.00 RAB9A (0.42) RAB9ASMN1; SMN2TP53PKMNFKB1
SCHEMBL7754234 0.93 FOLH1 (0.40) RAB9ASMN1; SMN2FFAR1NPC1PPARA
SCHEMBL7754241 0.93 FOLH1 (0.40) RAB9ASMN1; SMN2FFAR1NPC1PPARA
SCHEMBL7753573 0.92 FFAR1 (0.40) SMN1; SMN2TP53FFAR1FFAR4NPC1
SCHEMBL7753580 0.92 FFAR1 (0.40) SMN1; SMN2TP53FFAR1FFAR4NPC1
SCHEMBL7753650 0.91 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2MRGPRX4FFAR1FFAR4
SCHEMBL7753646 0.91 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2MRGPRX4FFAR1FFAR4
SCHEMBL7753222 0.89 PTGER4 (0.41) RAB9AFFAR1PPARAPTGER4L3MBTL1
SCHEMBL7753225 0.89 PTGER4 (0.41) RAB9AFFAR1PPARAPTGER4L3MBTL1
SCHEMBL7749529 0.86 NR1H2 (0.38) RAB9ASMN1; SMN2TP53PKMNFKB1

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 RAB9A 1772/4885SMN1; SMN2 3729/4885TP53 4300/4885

“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.