SCHEMBL18754182

SCHEMBL18754182

CCCCc1ccc(C2OCC3(CO2)COC(c2ccc(NCCNC)cc2)OC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
LMNA P02545 2/20 0.34
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 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
SCHEMBL18754289 0.86 SPHK1 (0.38) NPC1RAB9AHPGDTP53SMN1; SMN2
SCHEMBL20799635 0.74 MEN1 (0.40) NPC1RAB9AHPGDTP53SMN1; SMN2
SCHEMBL10306614 0.72 S1PR1 (0.42) KMT2AMEN1CYP2C19KDM4EALDH1A1
SCHEMBL11934948 0.72 SIGMAR1 (0.53) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL2014436 0.71 S1PR1 (0.39) KMT2AMEN1CYP2C19SPHK1LMNA
SCHEMBL28123466 0.71 SPHK1 (0.45) NPC1RAB9AHPGDTP53SMN1; SMN2
SCHEMBL19633181 0.71 TAAR1 (0.48) ALDH1A1MAPTGAALMNA
SCHEMBL7936552 0.69 HPGD (0.50) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL10612231 0.69 SPHK1 (0.44) TP53KDM4EALDH1A1SPHK1LMNA
SCHEMBL10612237 0.69 SPHK1 (0.44) TP53KDM4EALDH1A1SPHK1LMNA

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-2370420-B9 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-11-13 EP disclosed
EP-2370420-B1 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-05-22 EP disclosed
EP-2357217-B9 PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2019-03-13 EP disclosed
US-10005763-B2 Photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2018-06-26 US 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 (2 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-10005763-B2 Photochromic compounds CCR4, CCR8, CBR3 NPC1 2905/4885RAB9A 2043/4885HPGD 2895/4885
US-10000472-B2 Photochromic compounds CCR4, CCR8, CBR3 NPC1 2905/4885RAB9A 2043/4885HPGD 2895/4885

“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.