SCHEMBL9950480

SCHEMBL9950480

CCCC1CCCCC1Cc1ccc(C2OCCO2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
ADRA2A P08913 3/20 0.33
ADRA2B P18089 3/20 0.33
ADRA2C P18825 3/20 0.33
ADRA1A P35348 1/20 0.33
PTGS1 P23219 7/20 0.31
PTGS2 P35354 6/20 0.31
SLC6A3 Q01959 1/20 0.31
MT-CO1 P00395 1/20 0.31
MT-CO2 P00403 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9950609 0.88 CA1 (0.35) CA1CA2CA4ADRA2AADRA2B
SCHEMBL9950093 0.88 ADRA2A (0.32) ADRA2AADRA2BADRA2CPTGS1PTGS2
SCHEMBL9949457 0.83 ALDH1A1 (0.37) CA1CA2CA4ADRA2AADRA2B
SCHEMBL9949398 0.82 ADRA2A (0.32) ADRA2AADRA2BADRA2CPTGS1PTGS2
SCHEMBL9949584 0.79 ADRA2A (0.34) ADRA2AADRA2BADRA2CALDH1A1HTT
SCHEMBL9949784 0.79 CYP2C9 (0.39) SLC6A3ALDH1A1
SCHEMBL9950680 0.77 CHRNA7 (0.34)
SCHEMBL9949947 0.75 DRD2 (0.39) CA1CA2CA4ADRA2AADRA2B
SCHEMBL9950786 0.74 LTA4H (0.41) ALDH1A1
SCHEMBL9950213 0.74 CA1 (0.33) CA1CA2CA4ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2476662-B1 CYCLIC COMPOUND, PROCESS FOR PREPARATION THEREOF, RADIATION-SENSITIVE COMPOSITION, AND METHOD FOR FORMATION OF RESIST PATTERN MITSUBISHI GAS CHEMICAL CO (JP) 2018-05-30 EP claimed
EP-2476662-B1 CYCLIC COMPOUND, PROCESS FOR PREPARATION THEREOF, RADIATION-SENSITIVE COMPOSITION, AND METHOD FOR FORMATION OF RESIST PATTERN MITSUBISHI GAS CHEMICAL CO (JP) 2018-05-30 EP disclosed
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
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 CA1 1807/4885CA2 4834/4885CA4 3425/4885

“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.