SCHEMBL21945003

SCHEMBL21945003

Oc1ccc(-c2cccc(OCc3cc(C(F)(F)F)ccc3C(F)(F)F)c2)s1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.47
▸ HSD17B1 P14061 4/20 0.42
▸ HSD17B2 P37059 3/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.40
▸ NR1H2 P55055 6/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NR1H3 Q13133 1/20 0.39
▸ SRD5A1 P18405 1/20 0.39
▸ MAOB P27338 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
SCHEMBL21945000 0.91 SRD5A2 (0.55) SRD5A2HSD17B1HSD17B2NR1H2MCL1
SCHEMBL18002342 0.84 SRD5A2 (0.45) SRD5A2HSD17B1HSD17B2HDAC6NR1H2
SCHEMBL21944798 0.81 NR4A2 (0.45) LMNAPKMHSD17B10MAOB
SCHEMBL18005567 0.77 NR1H2 (0.39) SRD5A2HSD17B1HSD17B2HDAC6NR1H2
SCHEMBL28876730 0.74 SRD5A2 (0.44) SRD5A2NR1H2LMNAPKMHSD17B10
SCHEMBL18002480 0.74 SRD5A2 (0.52) SRD5A2NR1H2NR1H3SRD5A1MAOB
SCHEMBL28320645 0.73 SRD5A2 (0.43) SRD5A2NR1H2LMNAPKMHSD17B10
SCHEMBL28320545 0.73 IDO1 (0.58) SRD5A2NR1H2
SCHEMBL16399041 0.73 SRD5A2 (0.43) SRD5A2NR1H2MCL1LMNAPKM
SCHEMBL21945004 0.72 SRD5A2 (0.43) SRD5A2NR1H2MCL1NR1H3SRD5A1

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-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 SRD5A2 937/4885HSD17B1 265/4885HSD17B2 467/4885

“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.

Send feedback