SCHEMBL17072153

SCHEMBL17072153

CCc1cc(CI)cc(C(C)(C)C)c1OC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.40
DHFR P00374 3/20 0.40
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGS2 P35354 4/20 0.35
MAPT P10636 1/20 0.33
TNFRSF1A P19438 2/20 0.32
HTR2A P28223 1/20 0.32
VCAM1 P19320 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP3A4 P08684 1/20 0.31
HMGCR P04035 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL14999491 0.88 HSPA5 (0.51) HSPA5DHFRALDH1A1TSHRTDP1
SCHEMBL6567449 0.81 HSPA5 (0.41) HSPA5DHFRALDH1A1TSHRTDP1
SCHEMBL7786480 0.80 NR1H4 (0.44) HSPA5DHFRALDH1A1TSHRTDP1
SCHEMBL6568742 0.78 TNKS2 (0.42) HSPA5DHFRPTGS2MAPTVCAM1
SCHEMBL15180049 0.77 CA1 (0.50) DHFRALDH1A1TSHRTDP1PTGS2
SCHEMBL14999492 0.77 HSPA5 (0.46) HSPA5DHFRALDH1A1TSHRTDP1
SCHEMBL13368066 0.77 RXRA (0.40) DHFRALDH1A1TSHRTDP1PTGS2
SCHEMBL7792806 0.77 GAA (0.41) HSPA5TNFRSF1AVCAM1
SCHEMBL17072151 0.77 ALDH1A1 (0.36) HSPA5DHFRALDH1A1TSHRTDP1
SCHEMBL13900816 0.76 PTGS2 (0.54) HSPA5DHFRALDH1A1TSHRTDP1

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 HSPA5 3232/4885DHFR 941/4885ALDH1A1 2255/4885

“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.