SCHEMBL8942748

SCHEMBL8942748

C=CCC1=C(CC=C)C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
CDC25B P30305 3/20 0.48
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
PTPRC P08575 3/20 0.46
HTT P42858 3/20 0.46
APAF1 O14727 3/20 0.46
TDP2 O95551 3/20 0.46
POLB P06746 3/20 0.46
BLM P54132 3/20 0.46
S100A4 P26447 2/20 0.46
THRB P10828 2/20 0.46
GALK1 P51570 2/20 0.46
RAB9A P51151 2/20 0.46
CES2 O00748 1/20 0.46
TERT O14746 1/20 0.46

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
SCHEMBL939989 0.86 APAF1 (0.54) CASP3KMT2AMEN1CDC25BMAPT
SCHEMBL14894567 0.86 MAPT (0.52) CASP3CDC25BMAPTKDM4ESMN1; SMN2
SCHEMBL10952694 0.86 HTT (0.54) CASP3KMT2AMEN1CDC25BMAPT
SCHEMBL11647582 0.82 KMT2A (0.40) CASP3KMT2AMEN1CDC25BMAPT
SCHEMBL10493719 0.82 CASP3 (0.39) CASP3KMT2AMEN1CDC25BMAPT
SCHEMBL11616539 0.78 MAPT (0.50) CASP3KMT2AMEN1CDC25BMAPT
SCHEMBL3186176 0.77 CYP3A4 (0.35) POLBCYP3A4
SCHEMBL11412142 0.77 GABRA1 (0.46) CASP3KMT2AMEN1CDC25BMAPT
SCHEMBL9444224 0.76 PTPN1 (0.51) CASP3KMT2AMEN1MAPTKDM4E
SCHEMBL23960003 0.75 MAOA (0.47) KMT2AMEN1MAPTKDM4ESMN1; SMN2

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-5545391-A Removal of hydrogen sulphide SOLVAY INTEROX LIMITED (GB) 1996-08-13 US claimed
US-20080300298-A1 Honokiol Derivates For the Treatment of Proliferative Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-04 US disclosed
US-20080300298-A1 Honokiol Derivates For the Treatment of Proliferative Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-04 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-20080300298-A1 Honokiol Derivates For the Treatment of Proliferative Disorders CCNK, CDK3, CCNO CASP3 940/4885KMT2A 1803/4885MEN1 260/4885

“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.