SCHEMBL6848701

SCHEMBL6848701

C=CCC(C(=O)OC)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FFAR1 O14842 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX5 P09917 1/20 0.48
MAOB P27338 1/20 0.48
CYP2C19 P33261 1/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
PPARG P37231 1/20 0.47
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
ACACB O00763 1/20 0.47

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
SCHEMBL6849158 0.89 LTA4H (0.53) LTA4HNPC1RAB9ASMN1; SMN2FFAR1
SCHEMBL9114061 0.84 CYP2C19 (0.67) SMN1; SMN2ALDH1A1CYP2C19
SCHEMBL3718057 0.82 LTA4H (0.61) LTA4HNPC1RAB9ASMN1; SMN2FFAR1
SCHEMBL1069341 0.81 LTA4H (0.53) LTA4HNPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL10410136 0.80 LTA4H (0.52) LTA4HNPC1RAB9ASMN1; SMN2ALOX5
SCHEMBL14021656 0.80 ESR1 (0.72) LTA4HNPC1RAB9ASMN1; SMN2FFAR1
SCHEMBL8880882 0.80 ALOX5 (0.62) FFAR1ALOX5
SCHEMBL31579489 0.80 LTA4H (0.60) LTA4HNPC1RAB9ASMN1; SMN2FFAR1
SCHEMBL5070331 0.79 CYP3A4 (0.50) RAB9AALDH1A1CYP2C19
SCHEMBL6509628 0.79 LTA4H (0.51) LTA4HNPC1RAB9ASMN1; SMN2FFAR1

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-6770763-B2 CONTACTING PYRROLIDINONE-N-ACETIC ACID DERIVATIVE WITH BASE IN APROTIC SOLVENT; AMINATION WITH ELECTROPHILIC NITROGEN COMPOUND; REDUCTION, HYDROLYSIS; TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AND METALLOPROTEINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2004-08-03 US disclosed
US-20030236401-A1 Asymmetric synthesis of amino-pyrrolidinones BRISTOL-MYERS SQUIBB COMPANY 2003-12-25 US disclosed
WO-2003104220-A1 ASYMETRIC SYNTHESIS OF AMINO-PYRROLIDINONES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-18 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-20030236401-A1 Asymmetric synthesis of amino-pyrrolidinones ADAM17, EPRS1, ADAM8 LTA4H 3916/4885NPC1 2276/4885RAB9A 1397/4885

“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.