SCHEMBL480629

SCHEMBL480629

COC(=O)c1ccc(COc2ccc(C(C)C(O)(c3cnc(C)cn3)C(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
AR P10275 1/20 0.41
NR1H4 Q96RI1 2/20 0.41
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 2/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
BLM P54132 1/20 0.38
MAOB P27338 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37

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
SCHEMBL733293 0.93 MAOB (0.45) MAPTSMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL479828 0.93 MAOB (0.45) MAPTSMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL733430 0.93 MAOB (0.45) MAPTSMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL733547 0.92 RXRA (0.44) NPC1RAB9ANR1H4SMN1; SMN2POLB
SCHEMBL733155 0.92 RXRA (0.44) NPC1RAB9ANR1H4SMN1; SMN2POLB
SCHEMBL479988 0.92 RXRA (0.44) NPC1RAB9ANR1H4SMN1; SMN2POLB
SCHEMBL479968 0.91 MAPT (0.42) RAB9ANR1H4MAPTSMN1; SMN2KMT2A
SCHEMBL479956 0.91 MRGPRX4 (0.49) NPC1RAB9ANR1H4MAPTSMN1; SMN2
SCHEMBL479600 0.90 NR4A2 (0.36) NR1H4MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL754290 0.90 NR4A2 (0.36) NR1H4MAPTSMN1; SMN2MEN1KMT2A

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-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 NPC1 524/4885RAB9A 1623/4885AR 187/4885

“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.