SCHEMBL4508809

SCHEMBL4508809

O=C1CC2(CC2)Oc2cc(OS(=O)(=O)C(F)(F)F)cc(O)c21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
RIPK1 Q13546 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36
PTPN1 P18031 1/20 0.35
MITF O75030 1/20 0.34
NR2F2 P24468 1/20 0.34

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
SCHEMBL4503581 0.95 ALDH1A1 (0.40) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL4508350 0.85 ALDH1A1 (0.61) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL4508215 0.77 ALDH1A1 (0.67) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL12587385 0.75 TDP1 (0.39) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL9444373 0.73 MEN1 (0.49) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL11110017 0.72 ALDH1A1 (0.63) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL4508936 0.72 ALDH1A1 (0.63) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL9444249 0.71 ALDH1A1 (0.61) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL24713726 0.70 CNR2 (0.53)
SCHEMBL29814940 0.70 CNR2 (0.53)

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 7 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-8227511-B2 Substituted chromanol derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-07-24 US disclosed
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
US-20090306197-A1 Substituted Chromanol Derivatives and Their Use BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
US-20090306197-A1 Substituted Chromanol Derivatives and Their Use BAYER HEALTHCARE AG (DE) 2009-12-10 US 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.