SCHEMBL6203868

SCHEMBL6203868

COC(O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 1/20 0.41
ACHE P22303 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX5 P09917 1/20 0.35
MLKL Q8NB16 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
TSHR P16473 1/20 0.35
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL9979794 0.89 AOC3 (0.34) TSHR
SCHEMBL10045842 0.80 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL21769395 0.80 ESR1 (0.50) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL17124666 0.80 TSHR (0.36) ACHEKMT2ATSHR
SCHEMBL13283559 0.80 TYR (0.41) ALDH1A1MAPTMEN1KMT2A
SCHEMBL6206391 0.78 AOC3 (0.44) ALDH1A1MAPTACHEMEN1KMT2A
SCHEMBL6202340 0.78 CYP1A2 (0.42) ALDH1A1MAPTMEN1KMT2AALOX5
SCHEMBL6205818 0.78 CA12 (0.52) ALDH1A1MAPTACHETDP1TSHR
SCHEMBL20960412 0.78 TDP1 (0.42) ALDH1A1MAPTACHETDP1MEN1
SCHEMBL10186917 0.78 IDO1 (0.31)

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
CN-105658089-A Organic compounds 奇华顿股份有限公司 2016-06-08 CN disclosed
EP-1435978-B1 ESTERS OF AROMATIC ALKOXYLATED ALCOHOLS AND FATTY CARBOXYLIC ACIDS CRODA INC (US) 2014-09-03 EP disclosed
US-20110083730-A1 DERIVATIVES OR DIPYRANNYLIDENE TYPE AS ANODE INTERFACE LAYER IN ELECTRONIC DEVICES COMMISSARIAT A L'ENERGIE ATOMIQUE 2011-04-14 US disclosed
EP-1984331-B1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORP (US) 2010-10-20 EP disclosed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 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 (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-20110083730-A1 DERIVATIVES OR DIPYRANNYLIDENE TYPE AS ANODE INTERFACE LAYER IN ELECTRONIC DEVICES OCIAD2, OCIAD1, OSTC CHRNA7 2953/4885ALDH1A1 156/4885MAPT 765/4885

“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.