SCHEMBL2685247

SCHEMBL2685247

OC(C#Cc1ccccc1)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.39
ACP3 P15309 1/20 0.39
IDO1 P14902 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
AOC3 Q16853 1/20 0.38
CYP19A1 P11511 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
TDO2 P48775 2/20 0.37
IDO2 Q6ZQW0 2/20 0.37
CYP2D6 P10635 2/20 0.37
NFKB1 P19838 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP2C19 P33261 2/20 0.36
BLM P54132 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
HTT P42858 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
SCHEMBL22300264 0.79 GABRA1 (0.42) APPIDO1ALDH1A1MAPTLMNA
SCHEMBL17765434 0.78 ALDH1A1 (0.46) APPIDO1ALDH1A1MAPTLMNA
SCHEMBL2686082 0.78 IDO1 (0.44) APPACP3IDO1ALDH1A1LMNA
SCHEMBL9670146 0.78 CES2 (0.40) APPIDO1ALDH1A1MAPTLMNA
SCHEMBL9667703 0.78 APP (0.39) APPIDO1ALDH1A1MAPTLMNA
SCHEMBL9578317 0.77 MAPT (0.58) APPIDO1ALDH1A1MAPTLMNA
SCHEMBL2803296 0.75 ALDH1A1 (0.44) APPACP3IDO1ALDH1A1LMNA
SCHEMBL9578277 0.75 ALDH1A1 (0.38) APPIDO1ALDH1A1MAPTLMNA
SCHEMBL29288280 0.75 GRM5 (0.44) IDO1CYP19A1TDO2HTTL3MBTL1
SCHEMBL7202374 0.75 ALDH1A1 (0.39) ALDH1A1ADRB2ADRB1AOC3MAPT

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
CN-113461501-A Green method for high-selectivity synthesis of chalcone compounds 温州大学 2021-10-01 CN disclosed
US-8168835-B2 Method for preparing propargylic alcohol catalyzed by 2-morpholinoisobornane-10-thiol NATIONAL TSING HUA UNIVERSITY (TW) 2012-05-01 US disclosed
US-20110295042-A1 METHOD FOR PREPARING PROPARGYLIC ALCOHOL CATALYZED BY 2-MORPHOLINOISOBORNANE-10-THIOL NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-01 US disclosed
EP-0256745-B1 CRYSTALLINE COMPLEX COMPOUNDS OF PROPARGYL ALCOHOLS AND TERTIARY DIAMINES, AND PROCESS OF SEPARATION AND PURIFICATION OF PROPARGYL ALCOHOLS USING THE SAME UBE INDUSTRIES, LTD. (JP) 1992-05-13 EP disclosed
EP-0256745-A2 Crystalline complex compounds of propargyl alcohols and tertiary diamines, and process of separation and purification of propargyl alcohols using the same UBE INDUSTRIES, LTD. (JP) 1988-02-24 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 (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-20110295042-A1 METHOD FOR PREPARING PROPARGYLIC ALCOHOL CATALYZED BY 2-MORPHOLINOISOBORNANE-10-THIOL GRHPR, ADH1C, ADH5 APP 3945/4885ACP3 4748/4885IDO1 3612/4885

“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.