SCHEMBL4523875

SCHEMBL4523875

CCCCC(=CNCC(=O)O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP2D6 P10635 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PLA2G2A P14555 1/20 0.39
FAAH O00519 4/20 0.38
TERT O14746 3/20 0.38
PTPN1 P18031 3/20 0.38
PPARG P37231 3/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
MAPT P10636 3/20 0.38
BLM P54132 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TOP1 P11387 3/20 0.38
FABP4 P15090 2/20 0.38
F7 P08709 2/20 0.38
F3 P13726 2/20 0.38
USP2 O75604 2/20 0.38
POLB P06746 2/20 0.38
ALOX15 P16050 2/20 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
SCHEMBL4523866 1.00 ALDH1A1 (0.47) ALDH1A1CYP2D6SMN1; SMN2PLA2G2AFAAH
SCHEMBL4532387 0.73 ALDH1A1 (0.44) ALDH1A1CYP2D6SMN1; SMN2MAPTTDP1
Valeric Acid SCHEMBL183187 0.67 AKR1B1 (0.70) ALDH1A1PTPN1PPARGPPARDPPARA
Valeric Acid SCHEMBL2318831 0.65 TSHR (0.78) ALDH1A1PTPN1PPARGPPARDPPARA
SCHEMBL343398 0.65 FAAH (0.66) ALDH1A1PLA2G2AFAAHPTPN1MAPT
SCHEMBL20529741 0.64 F7 (0.55) ALDH1A1FAAHTERTPTPN1PPARG
SCHEMBL7647197 0.64 PPARG (0.55) ALDH1A1FAAHTERTPTPN1PPARG
SCHEMBL20529739 0.64 F7 (0.55) ALDH1A1FAAHTERTPTPN1PPARG
SCHEMBL20529758 0.64 PPARG (0.55) ALDH1A1FAAHTERTPTPN1PPARG
Valeric Acid SCHEMBL28129298 0.64

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-8314121-B2 Imidazolone derivatives, preparation thereof as drugs, pharmaceutical compositions, and use thereof as protein kinase inhibitors, in particular CDC7 SANOFI (FR) 2012-11-20 US disclosed
US-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2009-10-08 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-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 CDC7, CDK7, CDK17 ALDH1A1 4307/4885CYP2D6 2295/4885SMN1; SMN2 4126/4885

“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.