SCHEMBL4900604

SCHEMBL4900604

COC(=O)c1ccc(C(C#N)=Cc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.66
▸ MAPT P10636 7/20 0.66
▸ RAB9A P51151 6/20 0.66
▸ KDM4E B2RXH2 4/20 0.66
▸ NPC1 O15118 4/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ NFKB1 P19838 1/20 0.66
▸ NFKB2 Q00653 1/20 0.66
▸ RELA Q04206 1/20 0.66
▸ KMT2A Q03164 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ MAPK1 P28482 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ MITF O75030 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ TSHR P16473 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52

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
SCHEMBL4900601 1.00 ALDH1A1 (0.66) ALDH1A1MAPTRAB9AKDM4ENPC1
SCHEMBL13485342 0.92 ALDH1A1 (0.67) ALDH1A1MAPTRAB9AKDM4ENPC1
SCHEMBL10413988 0.92 ALDH1A1 (0.67) ALDH1A1MAPTRAB9AKDM4ENPC1
SCHEMBL6799046 0.87 ESR1 (0.71) ALDH1A1MAPTRAB9AKDM4ENPC1
SCHEMBL6799042 0.87 ESR1 (0.71) ALDH1A1MAPTRAB9AKDM4ENPC1
SCHEMBL6799049 0.87 ESR1 (0.71) ALDH1A1MAPTRAB9AKDM4ENPC1
SCHEMBL6806547 0.85 NQO2 (0.65) ALDH1A1MAPTRAB9AKDM4ENPC1
SCHEMBL6806552 0.85 NQO2 (0.65) ALDH1A1MAPTRAB9AKDM4ENPC1
SCHEMBL6806549 0.85 NQO2 (0.65) ALDH1A1MAPTRAB9AKDM4ENPC1
SCHEMBL14023145 0.85 ALDH1A1 (0.60) ALDH1A1MAPTRAB9AKDM4ENPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791901-B1 STABILIZATION OF ORGANIC MATERIALS BASF SE (DE) 2018-03-28 — — EP disclosed
US-9051448-B2 Stabilization of organic materials BASF SE (DE) 2015-06-09 — — US disclosed
US-20080269382-A1 Stabilization of Organic Materials BASF SE (DE) 2008-10-30 — — US disclosed
EP-1791901-A2 STABILIZATION OF ORGANIC MATERIALS Ciba SC Holding AG (CH) 2007-06-06 — — EP disclosed
WO-2006024611-A2 STABILIZATION OF ORGANIC MATERIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-03-09 — — 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-20080269382-A1 Stabilization of Organic Materials LPO, PPOX, HMOX1 ALDH1A1 129/4885MAPT 128/4885RAB9A 4024/4885

“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.

Send feedback