SCHEMBL17072152

SCHEMBL17072152

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.40
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL13452244 0.85 DHFR (0.41) DHFRALDH1A1LMNASMN1; SMN2PTGS2
SCHEMBL17072135 0.83 PTGS2 (0.32) PTGS2
SCHEMBL17072151 0.83 ALDH1A1 (0.36) DHFRALDH1A1PTGS2
SCHEMBL17072133 0.81 PTGS2 (0.31) PTGS2
SCHEMBL17286706 0.77 HSD11B1 (0.40) DHFRALDH1A1LMNASMN1; SMN2CYP2C19
SCHEMBL17072149 0.76
SCHEMBL17072137 0.76 NR3C2 (0.33) ALDH1A1SMN1; SMN2ESR1ESR2
SCHEMBL13310100 0.75 DHFR (0.44) DHFRALDH1A1LMNASMN1; SMN2PTGS2
SCHEMBL14999487 0.75 PTGS2 (0.39) DHFRALDH1A1LMNASMN1; SMN2PTGS2
SCHEMBL10044449 0.73 DHFR (0.43) DHFRALDH1A1PTGS2

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 DHFR 941/4885ALDH1A1 2255/4885LMNA 3764/4885

“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.