SCHEMBL4502467

SCHEMBL4502467

CCCc1cc2c(c(-c3ccccc3)c1C=O)C(=O)CC(C)(C)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 5/20 0.39
MAOB P27338 2/20 0.37
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 3/20 0.35
GAA P10253 3/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 3/20 0.34
GLA P06280 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL4508705 0.89 MAOB (0.39) ALDH1A1KDM4EMAOBRAB9ASMN1; SMN2
SCHEMBL4501245 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EMAOBRAB9ASMN1; SMN2
SCHEMBL4508528 0.76 ALDH1A1 (0.36) ALDH1A1KDM4EMAOBRAB9ASMN1; SMN2
SCHEMBL4509977 0.76 KDM4E (0.34) ALDH1A1KDM4EHPGDHTTSIGMAR1
SCHEMBL1666507 0.70 MAPT (0.36) ALDH1A1RAB9ALMNAMAPTMEN1
SCHEMBL4499404 0.69 ALDH1A1 (0.39) ALDH1A1KDM4EMAOBRAB9ASMN1; SMN2
SCHEMBL4507388 0.67 KDM4E (0.36) ALDH1A1KDM4ESMN1; SMN2NPC1HPGD
SCHEMBL14413904 0.65 ALDH1A1 (0.40) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL4518634 0.65 ALDH1A1 (0.65) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL11381814 0.65 ALDH1A1 (0.60) ALDH1A1KDM4EMAOBRAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227511-B2 Substituted chromanol derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-07-24 US disclosed
US-20090306197-A1 Substituted Chromanol Derivatives and Their Use BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
EP-1999123-A1 SUBSTITUTED CHROMANOL DERIVATIVES AND THEIR USE Bayer HealthCare AG (DE) 2008-12-10 EP disclosed
WO-2007107243-A1 SUBSTITUTED CHROMANOL DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-09-27 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-20090306197-A1 Substituted Chromanol Derivatives and Their Use CYP46A1, CBX3, CDYL ALDH1A1 1180/4885KDM4E 1772/4885MAOB 311/4885

“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.