SCHEMBL1821168

SCHEMBL1821168

COc1ccc(C(O)C#Cc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
AKR1C3 P42330 1/20 0.49
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP13 P45452 1/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 1/20 0.46
NR1I2 O75469 1/20 0.45
AHR P35869 1/20 0.45
KMT2A Q03164 2/20 0.44
IGF1R P08069 1/20 0.44
PRKDC P78527 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL163754 1.00 MAPT (0.49) MAPTL3MBTL1AKR1C3MMP2MMP3
SCHEMBL7053252 0.90 IGF1R (0.45) MAPTL3MBTL1ALDH1A1RAB9AKMT2A
SCHEMBL7734103 0.89 MAPT (0.46) MAPTL3MBTL1ALDH1A1RAB9AKMT2A
SCHEMBL1819239 0.84 MAPT (0.41) MAPTL3MBTL1MMP2MMP3MMP13
SCHEMBL4649497 0.83 KDM4E (0.46) MAPTAKR1C3ALDH1A1KMT2AIGF1R
SCHEMBL8358624 0.83 GRM5 (0.51) MAPTL3MBTL1AKR1C3ALDH1A1RAB9A
SCHEMBL4649145 0.83 LMNA (0.49) MAPTL3MBTL1AKR1C3ALDH1A1RAB9A
SCHEMBL27165415 0.82 HIF1A (0.47) MAPTALDH1A1KMT2APRKDCKDM4E
SCHEMBL1820200 0.82 ACACB (0.38) MAPTMMP2MMP3MMP13ALDH1A1
SCHEMBL9942722 0.82 APP (0.53) L3MBTL1ALDH1A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651912-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2018-10-03 EP disclosed
US-9034219-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2015-05-19 US disclosed
EP-2651914-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-05-13 EP disclosed
US-8920928-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2014-12-30 US disclosed
EP-2651914-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2013-10-23 EP disclosed
EP-2494408-A1 PHOTOCHROMIC MATERIALS Transitions Optical, Inc. (US) 2012-09-05 EP disclosed
US-20120156521-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 US disclosed
US-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 US disclosed
WO-2012082999-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed
WO-2011053615-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-05-05 WO disclosed
EP-1776436-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2007-04-25 EP disclosed
WO-2006022825-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2006-03-02 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 (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-20120156521-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS CRY2, CRY1, PPOX MAPT 573/4885L3MBTL1 4647/4885AKR1C3 2370/4885
US-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS CRY2, CRY1, IPO4 MAPT 562/4885L3MBTL1 4646/4885AKR1C3 2435/4885

“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.