SCHEMBL9949872

SCHEMBL9949872

c1ccc(C2OCCO2)c(CCCC2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CEL P19835 4/20 0.46
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
BCHE P06276 5/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A4 P31645 1/20 0.35
SLC18A3 Q16572 1/20 0.35
ACHE P22303 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL9950873 0.96 CEL (0.47) CELCYSLTR2CYSLTR1BCHESIGMAR1
SCHEMBL9950630 0.91 CEL (0.43) CELBCHEKDM1AMAOAMAOB
SCHEMBL9949390 0.81 RAB9A (0.40) CELRAB9A
SCHEMBL14465955 0.78 CYSLTR2 (0.36) CYSLTR2CYSLTR1SIGMAR1
SCHEMBL9949746 0.77 ALDH1A1 (0.33)
SCHEMBL9950337 0.77 MAOA (0.32) MAOAMAOBRAB9AL3MBTL1SLC6A4
SCHEMBL9950909 0.77 HRH3 (0.36) BCHEMAOAMAOBRAB9AL3MBTL1
SCHEMBL9949694 0.77 HRH1 (0.34) MAOAMAOBRAB9AL3MBTL1SLC6A4
SCHEMBL9951431 0.75 CHRNA7 (0.33) CELBCHERAB9AL3MBTL1
SCHEMBL9951037 0.75 SLC18A2 (0.32) CELRAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748078-B2 Cyclic compound, process for preparation thereof, radiation-sensitive composition, and method for formation of resist pattern MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-06-10 US disclosed
EP-2476662-A1 CYCLIC COMPOUND, PROCESS FOR PREPARATION THEREOF, RADIATION-SENSITIVE COMPOSITION, AND METHOD FOR FORMATION OF RESIST PATTERN Mitsubishi Gas Chemical Company, Inc. (JP) 2012-07-18 EP disclosed
US-20120164576-A1 CYCLIC COMPOUND, PROCESS FOR PREPARATION THEREOF, RADIATION-SENSITIVE COMPOSITION, AND METHOD FOR FORMATION OF RESIST PATTERN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-06-28 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-20120164576-A1 CYCLIC COMPOUND, PROCESS FOR PREPARATION THEREOF, RADIATION-SENSITIVE COMPOSITION, AND METHOD FOR FORMATION OF RESIST PATTERN RAD1, RER1, REV1 CEL 2007/4885CYSLTR2 2022/4885CYSLTR1 529/4885

“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.