SCHEMBL4040445

SCHEMBL4040445

CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)OC(c2ccc(F)cc2)(c2ccc(N3CCCC3)cc2)C=C1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.33
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APP P05067 1/20 0.31
CHRM5 P08912 1/20 0.31
PDK2 Q15119 2/20 0.30

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
SCHEMBL3147166 0.99 NPC1 (0.33) PGRMAPTKDM4EALDH1A1NPC1
SCHEMBL24620697 0.95 APP (0.33) MAPTAPPPDK2
SCHEMBL25604440 0.94 APP (0.33) MAPTAPPCHRM5PDK2
SCHEMBL3145461 0.94 PDK2 (0.34) PGRMAPTKDM4EALDH1A1NPC1
SCHEMBL10102302 0.93 NPC1 (0.32) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL3145997 0.93 APP (0.32) MAPTAPPCHRM5PDK2
SCHEMBL4037992 0.92 HTR7 (0.34) PGRMAPTKDM4EALDH1A1PDK2
SCHEMBL25844095 0.91 MAPT (0.34) MAPTKDM4ENPC1RAB9A
SCHEMBL25603694 0.91 HSD11B1 (0.33) MAPT
SCHEMBL25604441 0.90 PDK2 (0.35) MAPTKDM4EALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966180-B1 PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2015-02-18 EP claimed
EP-1284977-B1 THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS GLAXOSMITHKLINE ZAGREB (HR) 2009-06-24 EP claimed
US-7527754-B2 Photochromic indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2009-05-05 US claimed
US-20070138448-A1 Photochromic indeno-fused naphthopyrans TRANSITIONS OPTICAL LIMITED (IE) 2007-06-21 US claimed
EP-3331581-B1 MECHANOPHORIC MEDICAL PRODUKT AESCULAP AG (DE) 2020-07-08 EP disclosed
EP-1966180-B1 PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2015-02-18 EP disclosed
US-7527754-B2 Photochromic indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2009-05-05 US disclosed
US-20070138448-A1 Photochromic indeno-fused naphthopyrans TRANSITIONS OPTICAL LIMITED (IE) 2007-06-21 US 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-20070138448-A1 Photochromic indeno-fused naphthopyrans INTS6, IPO4, NQO1 PGR 2129/4885MAPT 525/4885KDM4E 960/4885

“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.