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SCHEMBL4501365

SCHEMBL4501365

CC(C)c1cc2c(c(-c3ccc(F)cc3)c1C(O)c1ccc(OC(F)(F)F)cc1)C(=O)CC(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.37
▸ TOP2A P11388 1/20 0.35
▸ TOP2B Q02880 1/20 0.35
▸ HSD11B1 P28845 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GCGR P47871 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ADRB2 P07550 2/20 0.31

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
SCHEMBL4501298 0.92 TOP2A (0.39) MAOBTOP2ATOP2BHSD11B1ALDH1A1
SCHEMBL4501378 0.90 MAOB (0.38) MAOBHSD11B1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL4501290 0.89 HSD11B1 (0.35) TOP2ATOP2BHSD11B1ALDH1A1KDM4E
SCHEMBL4504814 0.89 CETP (0.36) MAOBTOP2ATOP2BHSD11B1ALDH1A1
SCHEMBL4495368 0.87 ALDH1A1 (0.35) MAOBALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL4496169 0.83 SMN1; SMN2 (0.38) MAOBHSD11B1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL4517595 0.82 CETP (0.36) TOP2ATOP2BHSD11B1SMN1; SMN2GCGR
SCHEMBL4505606 0.82 CETP (0.36) TOP2ATOP2BHSD11B1SMN1; SMN2GCGR
SCHEMBL4505602 0.82 CETP (0.36) TOP2ATOP2BHSD11B1SMN1; SMN2GCGR
SCHEMBL27762209 0.81 CTSD (0.35) TOP2ATOP2BHSD11B1SMN1; SMN2MEN1

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 9 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
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
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 MAOB 311/4885TOP2A 1310/4885TOP2B 1172/4885

“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.