SCHEMBL4182858

SCHEMBL4182858

CCOC(C)Oc1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
HTR7 P34969 1/20 0.40
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
DHODH Q02127 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
SCHEMBL23906795 0.86 LMNA (0.48) ADRA2AADRA2BADRA2CLMNAKMT2A
SCHEMBL7685092 0.84 HTR1A (0.49) HTR1AADRA2AADRA2BADRA2CHTR7
SCHEMBL9924430 0.80 LMNA (0.38) HTR1AADRA2AADRA2BADRA2CLMNA
SCHEMBL13086759 0.79 CYP1A2 (0.41) ADRA2BLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL27082353 0.79 LMNA (0.41) LMNAL3MBTL1MAOAMAOB
SCHEMBL8218163 0.79 ADRA2A (0.48) HTR1AADRA2AADRA2BADRA2CLMNA
SCHEMBL27701197 0.79 CA1 (0.50) ADRA2AADRA2BADRA2CLMNAMEN1
SCHEMBL27082292 0.79 SMN1; SMN2 (0.48) LMNAMEN1KMT2AATMSMN1; SMN2
SCHEMBL2120865 0.78 LMNA (0.39) ADRA2AADRA2BADRA2CLMNAKMT2A
SCHEMBL20637343 0.78 LMNA (0.39) ADRA2AADRA2BADRA2CLMNAMEN1

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
US-20230125270-A1 RADIATION SENSITIVE COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2023-04-27 US disclosed
US-20230125270-A1 RADIATION SENSITIVE COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2023-04-27 US disclosed
US-20180181000-A1 RADIATION SENSITIVE COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-06-28 US disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed
WO-2016199762-A1 RADIATION SENSITIVE COMPOSITION 日産化学工業株式会社 2016-12-15 WO disclosed
US-7521581-B2 Catalyst composition and process for producing cross-coupled compound using same TOSOH CORPORATION (JP) 2009-04-21 US disclosed
EP-1707263-B1 Catalyst composition comprising an alkylene diamine-nickel complex and process for producing a cross-coupled compound using the same TOSOH CORP (JP) 2009-02-25 EP disclosed
US-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same TOSOH CORPORATION 2006-10-05 US disclosed
EP-1707263-A1 Catalyst composition comprising an alkylene diamine-nickel complex and process for producing a cross-coupled compound using the same Tosoh Corporation (JP) 2006-10-04 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 (3 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-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same C5, TST, PYM1 HTR1A 3155/4885ADRA2A 2385/4885ADRA2B 2016/4885
US-20180181000-A1 RADIATION SENSITIVE COMPOSITION RER1, RAD1, RAD51 HTR1A 2699/4885ADRA2A 1616/4885ADRA2B 627/4885
US-20230125270-A1 RADIATION SENSITIVE COMPOSITION XRCC6, RAD50, XRCC5 HTR1A 1784/4885ADRA2A 2089/4885ADRA2B 1273/4885

“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.