SCHEMBL9934689

SCHEMBL9934689

CC(=O)Oc1cc2c(c3cc(Cl)ccc13)-c1ccccc1C2(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.41
HTT P42858 3/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
PGR P06401 2/20 0.38
MAP2 P11137 4/20 0.35
TSHR P16473 1/20 0.35
PDK2 Q15119 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1814483 0.87 HTT (0.48) HTTMEN1KMT2ALMNAMAPT
SCHEMBL9932915 0.85 BACE1 (0.42) HTTMEN1KMT2ALMNAMAPT
SCHEMBL9931978 0.80 BACE1 (0.42) HTTMEN1KMT2ALMNAMAPT
SCHEMBL9933816 0.78 MAOA (0.39) PGRMAP2PDK2MAOA
SCHEMBL1814669 0.75 HTT (0.43) HTTKMT2ALMNAMAPTKDM4E
SCHEMBL9932470 0.74 PGR (0.33) HTTMEN1KMT2ALMNAMAPT
SCHEMBL1958868 0.72 BACE1 (0.39) ABCB11MEN1KMT2AMAPTKDM4E
SCHEMBL16726429 0.70 HTT (0.46) HTTMEN1KMT2ALMNAMAPT
SCHEMBL18351750 0.69 PDK2 (0.40) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL9713667 0.69 ABCB11 (0.65) ABCB11HTTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2012082999-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed
US-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 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-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS CRY2, CRY1, IPO4 ABCB11 3068/4885HTT 737/4885MEN1 3275/4885

“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.