SCHEMBL18754289

SCHEMBL18754289

CCCCc1ccc(C2COC(c3ccc(NCCNC)cc3)OC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 7/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
SPHK2 Q9NRA0 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
SCHEMBL18754182 0.86 NPC1 (0.37) SPHK1NPC1RAB9ATP53HPGD
SCHEMBL12436511 0.84 SPHK1 (0.49) SPHK1THRATHRBSPHK2
SCHEMBL10640062 0.74 SPHK1 (0.49) SPHK1ALDH1A1MAPTKMT2ALMNA
SCHEMBL10866676 0.72 P2RY6 (0.45) SPHK1THRATHRBSPHK2
SCHEMBL2014463 0.72 S1PR1 (0.42) SPHK1KDM4EALDH1A1GAAMAPT
SCHEMBL2014460 0.72 S1PR1 (0.42) SPHK1KDM4EALDH1A1GAAMAPT
SCHEMBL11206222 0.72 TSHR (0.57) SPHK1
SCHEMBL11934948 0.72 SIGMAR1 (0.53) SPHK1HPGDALDH1A1GAAMAPT
SCHEMBL17929335 0.71 CETP (0.44) SPHK1
SCHEMBL28123466 0.71 SPHK1 (0.45) SPHK1NPC1RAB9ATP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370420-B9 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-11-13 EP disclosed
EP-2357217-B9 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-03-13 EP disclosed
US-10000472-B2 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2018-06-19 US disclosed
EP-2651913-B1 INDENO-FUSED RING COMPOUNDS HAVING PHOTOCHROMIC PROPERTIES TRANSITIONS OPTICAL INC (US) 2017-04-19 EP 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-10000472-B2 Photochromic compounds CCR4, CCR8, CBR3 SPHK1 4032/4885NPC1 2905/4885RAB9A 2043/4885

“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.