SCHEMBL9950806

SCHEMBL9950806

CCC1CCC(Cc2ccccc2C2OCCO2)CC1

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
OPRM1 P35372 1/20 0.31
HTR1A P08908 4/20 0.31
ADRA2A P08913 4/20 0.31
ADRA2B P18089 4/20 0.31
ADRA2C P18825 4/20 0.31
KCNH2 Q12809 1/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CTSB P07858 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL9950556 0.88 HRH3 (0.33) OPRM1SLC6A4DRD2
SCHEMBL9950386 0.88 ACHE (0.34) HTR1AADRA2AADRA2BADRA2CKCNH2
SCHEMBL9950193 0.85 EED (0.33) SLC6A4SLC6A2SLC6A3
SCHEMBL9950337 0.85 MAOA (0.32) SLC6A4
SCHEMBL9949390 0.84 RAB9A (0.40)
SCHEMBL9950826 0.79
SCHEMBL11941061 0.78 CTSB (0.43) SLC6A4SLC6A2CTSB
SCHEMBL9950730 0.77 BCHE (0.33) SLC6A4SLC6A2SLC6A3DRD2
SCHEMBL9950789 0.77 EED (0.33)
SCHEMBL9950909 0.76 HRH3 (0.36) OPRM1SLC6A4

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 CNR1 336/4885CNR2 1881/4885OPRM1 2507/4885

“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.