SCHEMBL20799740

SCHEMBL20799740

C=Cc1cc(I)cc(C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.41
ERN1 O75460 3/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRB2 P47870 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EEF2K O00418 1/20 0.32
SRC P12931 1/20 0.32
PTGS1 P23219 4/20 0.31
PTGS2 P35354 4/20 0.31
ALOX5 P09917 3/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2B6 P20813 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL2925311 0.79 ERN1 (0.64) TTRERN1CA1CA2ALDH1A1
SCHEMBL18677459 0.78
SCHEMBL8259227 0.78 ALDH1A1 (0.46) ERN1CA1CA2CYP1A2CYP2C9
SCHEMBL20799739 0.78 ERN1 (0.63) TTRERN1GABRA1GABRB1GABRB2
SCHEMBL31164279 0.78 ERN1 (0.63) TTRERN1GABRA1GABRB1GABRB2
SCHEMBL24170744 0.78 TTR (0.39) TTRERN1CA1CA2GABRA1
SCHEMBL720219 0.77 TTR (0.58) TTRCA1CA2GABRA1GABRB1
SCHEMBL6952860 0.73 SHBG (0.50) CA1CA2EEF2KSRCPTGS1
SCHEMBL6951441 0.73 ALOX15 (0.42) CA1CA2CYP1A2CYP2C9HIF1A
SCHEMBL7873607 0.72 TTR (0.78) TTRERN1CA1CA2GABRA1

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-10915021-B2 Monomer, polymer, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-02-09 US disclosed
US-20190079399-A1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-03-14 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-10915021-B2 Monomer, polymer, resist composition, and patterning process H1-4, PCNA, H1-0 TTR 2321/4885ERN1 865/4885CA1 2423/4885

“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.