SCHEMBL4518634

SCHEMBL4518634

CCCc1cc(O)c2c(c1)OC(C)(C)CC2=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.50
TRPA1 O75762 1/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
TRPV3 Q8NET8 1/20 0.50
TRPV4 Q9HBA0 1/20 0.50
TRPV2 Q9Y5S1 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL10989218 0.91 ALDH1A1 (0.60) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL11381814 0.85 ALDH1A1 (0.60) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL4509269 0.85 CNR2 (0.49) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL10367142 0.82 ALDH1A1 (0.63) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL1146705 0.79 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL20116002 0.78 ALDH1A1 (0.74) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL10482619 0.77 ALDH1A1 (0.72) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL11104746 0.76 PTPN1 (0.57) ALDH1A1TRPA1CNR1CNR2TRPV1
SCHEMBL10991078 0.75 CNR2 (0.43) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL11112856 0.75 PTPN1 (0.49) TRPA1CNR1CNR2TRPV1TRPV3

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 1180/4885RAB9A 2455/4885NPC1 209/4885

“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.