SCHEMBL3828632

SCHEMBL3828632

CCOC(=O)c1cc(I)ccc1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
CFD P00746 2/20 0.44
HSD17B10 Q99714 4/20 0.43
KDM4E B2RXH2 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
MAP2K2 P36507 1/20 0.41
MAP2K1 Q02750 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GABRA1 P14867 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40

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
SCHEMBL6693935 0.88 CA12 (0.46) TSHRHSD17B10KDM4ECA12CA1
SCHEMBL12942076 0.84 TSHR (0.49) TSHRHSD17B10CA12CA1CA2
SCHEMBL6301456 0.84 TSHR (0.49) TSHRCFDHSD17B10KDM4ECA12
SCHEMBL6467757 0.84 LMNA (0.50) TSHRCA12CA1CA2CA7
SCHEMBL10334181 0.82 LMNA (0.50) TSHRCFDHSD17B10KDM4ECA12
SCHEMBL24962709 0.81 TSHR (0.45) TSHRCA12CA1CA2CA7
SCHEMBL30754659 0.81 TSHR (0.45) TSHRCA12CA1CA2CA7
SCHEMBL4626816 0.80 TSHR (0.60) TSHRHSD17B10KDM4ECA12CA1
SCHEMBL6696651 0.80 TSHR (0.47) TSHRCFDHSD17B10KDM4ECA12
SCHEMBL8587536 0.79 CYP4F2 (0.63) TSHRCFDHSD17B10KDM4ECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099755-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2009-09-16 EP disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US disclosed
WO-2008062276-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-05-29 WO 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-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS SCD, SCD5, ACACA TSHR 4181/4885CFD 4559/4885HSD17B10 58/4885

“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.