SCHEMBL6236555

SCHEMBL6236555

O=C(OC(F)(F)F)[C@H](O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.57
MAPK1 P28482 1/20 0.57
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
HPGD P15428 1/20 0.43
CYP2D6 P10635 3/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CHRM3 P20309 2/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
BLM P54132 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39

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
SCHEMBL3682260 0.82 SRC (0.50) LMNAMAPK1CES2CES1CYP2D6
SCHEMBL18207061 0.81 LMNA (0.52) LMNAMAPK1CES2CES1HPGD
SCHEMBL6287222 0.81 LMNA (0.52) LMNAMAPK1CES2CES1HPGD
SCHEMBL8593879 0.81 LMNA (0.52) LMNAMAPK1CES2CES1HPGD
SCHEMBL17593630 0.79 KMT2A (0.44) LMNAMAPK1KMT2AL3MBTL1ATM
SCHEMBL9063308 0.79 L3MBTL1 (0.45) LMNAMAPK1CES2CES1CYP2D6
SCHEMBL28283661 0.78 LMNA (0.58) LMNAMAPK1CES2CES1HPGD
SCHEMBL352390 0.77 LMNA (0.62) LMNAMAPK1CES2CES1HPGD
SCHEMBL1951103 0.77 LMNA (0.62) LMNAMAPK1CES2CES1HPGD
SCHEMBL19489392 0.75 LMNA (0.60) LMNAMAPK1CES2CES1HPGD

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-2688554-A2 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES Cevc, Gregor (DE) 2014-01-29 EP disclosed
US-20140017302-A1 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CEVC GREGOR (DE) 2014-01-16 US disclosed
WO-2012126966-A2 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CEVC GREGOR (DE) 2012-09-27 WO disclosed
EP-1554272-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2005-07-20 EP disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 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-20140017302-A1 OPTIMISED PREPARATIONS OF HIGHLY ADAPTABLE AGGREGATES CD68, CHMP4B, ANXA5 LMNA 1510/4885MAPK1 4879/4885CES2 4077/4885

“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.