SCHEMBL17072137

SCHEMBL17072137

CCc1cc(C(C)(C)I)cc(C(C)(C)c2ccccc2)c1OC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.33
PDE4D Q08499 2/20 0.32
NR1I2 O75469 1/20 0.32
CHRM2 P08172 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADRA2B P18089 1/20 0.32
SLC6A4 P31645 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
KIF11 P52732 1/20 0.31
TNFRSF1A P19438 1/20 0.31
ALOX5AP P20292 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL14999407 0.89 CYP3A4 (0.37) NR3C2PDE4DNR1I2CHRM2ADORA3
SCHEMBL16253613 0.83 PTGS2 (0.39) NR3C2PDE4DNR1I2CHRM2ADORA3
SCHEMBL17072151 0.82 ALDH1A1 (0.36) TNFRSF1AALDH1A1CYP3A4
SCHEMBL17072133 0.81 PTGS2 (0.31)
SCHEMBL17359380 0.78 GABRA1 (0.37) NR3C2PDE4DNR1I2CHRM2ADORA3
SCHEMBL17072230 0.78 PDE4A (0.31) NR3C2PDE4DPDE4APDE4BPDE4C
SCHEMBL17072152 0.76 DHFR (0.40) ALDH1A1ESR1ESR2SMN1; SMN2
SCHEMBL17072135 0.73 PTGS2 (0.32)
SCHEMBL14999419 0.71 TNFRSF1A (0.35) NR3C2PDE4DNR1I2CHRM2ADORA3
SCHEMBL14594230 0.71 ESR1 (0.40) NR3C2PDE4DPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505878-B2 Catalysts and methods for polymer synthesis NOVOMER, INC. (US) 2016-11-29 US disclosed
US-20150252145-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2015-09-10 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-20150252145-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 NR3C2 2911/4885PDE4D 4714/4885NR1I2 4484/4885

“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.