SCHEMBL3047178

SCHEMBL3047178

CC1=C(C)C(=O)C(CCc2ccccc2)=C(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 2/20 0.46
S100A4 P26447 1/20 0.43
POLB P06746 2/20 0.42
PARK7 Q99497 1/20 0.41
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 2/20 0.39
FFAR1 O14842 1/20 0.39
PTPN1 P18031 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KCNH2 Q12809 1/20 0.38
TBXAS1 P24557 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TRAP1 Q12931 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
SCHEMBL7905154 0.85 S100A4 (0.57) XIAPS100A4POLBPARK7PKM
SCHEMBL3040732 0.82 TBXAS1 (0.50) S100A4PKMMAPK1ALDH1A1PTPN1
SCHEMBL10728648 0.79 TBXAS1 (0.56) TBXAS1
SCHEMBL27513629 0.78 XIAP (0.49) XIAPS100A4POLBPARK7PKM
SCHEMBL12761936 0.73 TBXAS1 (0.47) S100A4POLBPKMMAPK1ALDH1A1
SCHEMBL5820368 0.72 MAPT (0.58) S100A4POLBPKMMAPK1ALDH1A1
SCHEMBL14596680 0.71 S100A4 (0.74) S100A4POLBPKMALDH1A1HSD17B10
SCHEMBL28831780 0.71 XIAP (0.45) XIAPPARK7ALDH1A1FFAR1PTPN1
Ethane SCHEMBL21049496 0.69 ALDH1A1 (0.61) TAAR1ALDH1A1MAOAMAOBKCNH2
SCHEMBL62125 0.69 ALDH1A1 (0.69) TAAR1ALDH1A1FFAR1MAOAMAOB

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-20100010100-A1 DERMATOLOGICAL COMPOSITIONS WITH ANTI-AGING AND SKIN EVEN-TONING PROPERTIES EDISON PHARMACEUTICALS, INC. 2010-01-14 US disclosed
WO-2010005989-A1 DERMATOLOGICAL COMPOSITIONS WITH ANTI-AGING AND SKIN EVEN-TONING PROPERTIES EDISON PHARMACEUTICALS, INC. (US) 2010-01-14 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-20100010100-A1 DERMATOLOGICAL COMPOSITIONS WITH ANTI-AGING AND SKIN EVEN-TONING PROPERTIES TYR, TELO2, LPO XIAP 2301/4885S100A4 904/4885POLB 381/4885

“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.