SCHEMBL18260243

SCHEMBL18260243

CCCCCc1ccc(-c2c(-c3cc(-c4ccc5ccccc5c4-c4ccc(CCCCC)cc4)cc(-c4ccc5ccccc5c4-c4ccc(CCCCC)cc4)c3)ccc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
HSD11B1 P28845 2/20 0.43
GPR3 P46089 1/20 0.42
CNR2 P34972 1/20 0.41
DHODH Q02127 1/20 0.41
RARB P10826 4/20 0.40
CNR1 P21554 2/20 0.40
BCHE P06276 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL6059665 0.84 CTSV (0.49) CTSVCTSLHSD11B1DHODHRARB
SCHEMBL3731391 0.80 BCHE (0.41) CTSVCTSLHSD11B1CNR2DHODH
SCHEMBL3724388 0.78 CTSV (0.49) CTSVCTSLHSD11B1RARBTSHR
SCHEMBL3728181 0.78 CTSV (0.49) CTSVCTSLHSD11B1RARBTSHR
SCHEMBL1705626 0.78 KDM4E (0.46) CTSVCTSLHSD11B1GPR3RARB
SCHEMBL2382927 0.78 KDM4E (0.46) CTSVCTSLHSD11B1GPR3RARB
SCHEMBL2384593 0.78 KDM4E (0.46) CTSVCTSLHSD11B1GPR3RARB
SCHEMBL27618241 0.77 CNR1 (0.47) CTSVCTSLHSD11B1CNR2CNR1
SCHEMBL5418521 0.76 CTSV (0.52) CTSVCTSLHSD11B1RARBTSHR
SCHEMBL18260237 0.75 DNMT1 (0.46) TSHRHSD17B10

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-9708351-B2 Alkenes as alkyne equivalents in radical cascades terminated by fragmentations The Florida State University Research Foundation, Inc. (US) 2017-07-18 US disclosed
US-20160347778-A1 ALKENES AS ALKYNE EQUIVALENTS IN RADICAL CASCADES TERMINATED BY FRAGMENTATIONS The Florida State University Research Foundation, Inc. 2016-12-01 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-20160347778-A1 ALKENES AS ALKYNE EQUIVALENTS IN RADICAL CASCADES TERMINATED BY FRAGMENTATIONS AOC3, OR51E2, AOC2 CTSV 1558/4885CTSL 1798/4885HSD11B1 418/4885

“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.