SCHEMBL4384773

SCHEMBL4384773

CCCOC(OCCC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
LMNA P02545 4/20 0.44
SCN1A P35498 3/20 0.44
SCN2A Q99250 3/20 0.44
SCN3A Q9NY46 3/20 0.44
OPRM1 P35372 2/20 0.44
OPRK1 P41145 2/20 0.44
HTR2A P28223 2/20 0.44
HRH1 P35367 2/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
TSHR P16473 1/20 0.44
ADRA2B P18089 1/20 0.44
CHRM3 P20309 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL16767867 0.90 HRH1 (0.42) HTTLMNASCN1ASCN2ASCN3A
SCHEMBL14417585 0.89 HTT (0.41) HTTLMNASCN1ASCN2ASCN3A
SCHEMBL10717745 0.89 LTA4H (0.47) HTTLMNASCN1ASCN2ASCN3A
SCHEMBL9451044 0.87 PTGS2 (0.41) LMNAOPRM1CYP1A2CHRM2CYP2D6
SCHEMBL28346107 0.87 CHRNB2 (0.44) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL10761888 0.87 LTA4H (0.47) HTTLMNAHTR2ATSHRKCNH2
SCHEMBL9155398 0.86 NPC1 (0.47) LMNAHTR2ATSHRKCNH2MAPK1
SCHEMBL11057451 0.86 NPC1 (0.47) LMNAHTR2ATSHRKCNH2MAPK1
SCHEMBL21367527 0.85 PBRM1 (0.36) HTTLMNASCN1ASCN2ASCN3A
SCHEMBL7120235 0.84 ALDH1A1 (0.46) HTTLMNASCN1ASCN2ASCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2130816-B1 Triarylmethanes and processes for making the same XEROX CORP (US) 2017-08-23 EP claimed
US-8080351-B2 Triarylmethanes and processes for making the same XEROX CORPORATION (US) 2011-12-20 US claimed
US-20090297960-A1 Triarylmethanes and Processes for Making the Same XEROX CORPORATION (US) 2009-12-03 US claimed
US-9975831-B2 Method for producing ether compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-05-22 US disclosed
EP-2130816-B1 Triarylmethanes and processes for making the same XEROX CORP (US) 2017-08-23 EP disclosed
US-20150011799-A1 METHOD FOR PRODUCING ETHER COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-01-08 US disclosed
EP-2813482-A1 METHOD FOR PRODUCING ETHER COMPOUND Takasago International Corporation (JP) 2014-12-17 EP disclosed
CN-102692819-A Photosensitive resin composite and liquid crystal board TOKYO OHKA KOGYO CO LTD 2012-09-26 CN disclosed
EP-0501919-A1 Radiation-sensitive compositions based on polyphenols and acetals CIBA-GEIGY AG (CH) 1992-09-02 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 (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-20090297960-A1 Triarylmethanes and Processes for Making the Same ACAT1, GNPAT, AKR7A2 HTT 939/4885LMNA 3234/4885SCN1A 4790/4885
US-20150011799-A1 METHOD FOR PRODUCING ETHER COMPOUND CBR3, CYP2E1, HPD HTT 3977/4885LMNA 4037/4885SCN1A 4541/4885

“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.