SCHEMBL6884424

SCHEMBL6884424

C=C[C@H](C=O)OCc1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
FFAR1 O14842 1/20 0.46
IDO1 P14902 3/20 0.44
AGXT P21549 2/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
APLNR P35414 1/20 0.42
APP P05067 3/20 0.40
HTT P42858 1/20 0.40
LDHA P00338 1/20 0.40
POLB P06746 1/20 0.40
TBXAS1 P24557 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL6550926 1.00 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL16594094 0.78 IDO1 (0.48) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL7069810 0.78 IDO1 (0.48) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL17616786 0.77 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL12502485 0.75 IDO1 (0.53) SMN1; SMN2IDO1AGXTNPC1RAB9A
SCHEMBL14567491 0.75 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL14567490 0.75 NPC1 (0.47) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL2692649 0.75 IDO1 (0.42) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL936399 0.73 IDO1 (0.55) IDO1AGXTAPPMAOBCA1
SCHEMBL17900959 0.73 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15

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-6803382-B2 1-OXASPIRO(2,5)OCTAN-6-OL DERIVATIVES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-10-12 US disclosed
US-20030134896-A1 Novel angiogenesis inhibitors and pharmaceutical and cosmetic use thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-07-17 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 (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-20030134896-A1 Novel angiogenesis inhibitors and pharmaceutical and cosmetic use thereof VEGFA, KDR, FLT1 SMN1; SMN2 4306/4885ALDH1A1 113/4885TP53 1723/4885

“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.