SCHEMBL21140743

SCHEMBL21140743

CCCC(C)C(=O)Nc1cccc(C(I)(I)C(I)I)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.62
TSHR P16473 1/20 0.62
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL21140306 0.84 SMN1; SMN2 (0.52) HSD17B10TSHRSMN1; SMN2MEN1ALDH1A1
SCHEMBL30977682 0.83 HSD17B10 (0.67) HSD17B10TSHRSMN1; SMN2MEN1ALDH1A1
SCHEMBL19592439 0.83 HSD17B10 (0.67) HSD17B10TSHRSMN1; SMN2MEN1ALDH1A1
SCHEMBL19960601 0.78 ALDH1A1 (0.51) HSD17B10TSHRSMN1; SMN2MEN1ALDH1A1
SCHEMBL11874540 0.77 HSD17B10 (0.74) HSD17B10TSHRCA1CA2CA7
SCHEMBL11876425 0.76 HSD17B10 (0.72) HSD17B10TSHRCA1CA2CA7
SCHEMBL11873185 0.75 HSD17B10 (0.74) HSD17B10TSHRCA1CA2CA7
SCHEMBL11861860 0.75 HSD17B10 (0.74) HSD17B10TSHRCA1CA2CA7
SCHEMBL11877345 0.75 HSD17B10 (0.74) HSD17B10TSHRCA1CA2CA7
SCHEMBL1491201 0.75 HSD17B10 (0.69) HSD17B10TSHRCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF PHARMAKEA, INC. 2019-06-27 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-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF LOXL2, LOXL1, LOXL3 HSD17B10 984/4885TSHR 1154/4885CA1 3694/4885

“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.