SCHEMBL1812978

SCHEMBL1812978

O=C(c1ccc(F)cc1)c1ccc(N2CCCC(CO)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
TP53 P04637 4/20 0.62
ALDH1A1 P00352 3/20 0.62
HPGD P15428 3/20 0.62
MAPT P10636 2/20 0.62
TSHR P16473 2/20 0.62
MAPK1 P28482 2/20 0.62
KDM4E B2RXH2 1/20 0.62
CASP1 P29466 1/20 0.62
CASP7 P55210 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
NOTUM Q6P988 1/20 0.48
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 2/20 0.46
STAT1 P42224 1/20 0.46

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
SCHEMBL27976340 0.93 NPC1 (0.51) NPC1RAB9ATP53ALDH1A1HPGD
SCHEMBL21135466 0.90 CYP3A4 (0.56) NPC1RAB9ATP53ALDH1A1HPGD
SCHEMBL7146014 0.90 CYP3A4 (0.56) NPC1RAB9ATP53ALDH1A1HPGD
SCHEMBL21135575 0.90 CYP3A4 (0.56) NPC1RAB9ATP53ALDH1A1HPGD
SCHEMBL1663461 0.83 USP2 (0.51) NPC1RAB9ATP53ALDH1A1HPGD
SCHEMBL27714650 0.81 NOTUM (0.55) NPC1RAB9ATP53ALDH1A1HPGD
SCHEMBL25855629 0.77 ESR1 (0.45) CYP3A4CYP2C19HTT
SCHEMBL21135449 0.77 ALDH1A1 (0.48) NPC1RAB9AALDH1A1HPGDMAPT
SCHEMBL21135456 0.77 ALDH1A1 (0.48) NPC1RAB9AALDH1A1HPGDMAPT
SCHEMBL1815810 0.77 CYP3A4 (0.44) CYP3A4CYP2C19NOTUMPPARAFFAR4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2494408-B9 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP disclosed
EP-2494408-B1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2015-04-15 EP disclosed
US-8518305-B2 Photochromic materials TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US disclosed
EP-2494408-A1 PHOTOCHROMIC MATERIALS Transitions Optical, Inc. (US) 2012-09-05 EP disclosed
US-20110108781-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-05-12 US disclosed
WO-2011053615-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-05-05 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-20110108781-A1 PHOTOCHROMIC MATERIALS INCENP, SMCHD1, NEDD8 NPC1 2663/4885RAB9A 4413/4885TP53 1755/4885

“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.