SCHEMBL4151358

SCHEMBL4151358

CC1(C)CCCCOB(c2cccc(NS(C)(=O)=O)c2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
BRD4 O60885 5/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
POLB P06746 1/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
CTSL P07711 1/20 0.33

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
SCHEMBL393567 0.80 CA1 (0.50) ALDH1A1SMN1; SMN2BRD4CA1CA2
SCHEMBL31438926 0.80 CA1 (0.50) ALDH1A1SMN1; SMN2BRD4CA1CA2
Urea SCHEMBL28537123 0.75 CA1 (0.48) ALDH1A1SMN1; SMN2CA1CA2CA9
SCHEMBL12314741 0.72 CA1 (0.51) ALDH1A1SMN1; SMN2CA1CA2CA9
SCHEMBL28579043 0.71 LPL (0.33) OPRM1OPRK1
SCHEMBL16238072 0.68 LPL (0.48) SMN1; SMN2BRD4CA1CA2CA9
SCHEMBL1075440 0.68 OPRM1 (0.46) OPRM1BRD4CA1CA2CA9
SCHEMBL14719219 0.67 CA1 (0.47) CA1CA2CA9CA12CA3
SCHEMBL10391 0.67 HTT (0.49) ALDH1A1SMN1; SMN2BRD4CA1CA2
SCHEMBL21612932 0.67 PRKACA (0.33)

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
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 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 (2 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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 ALDH1A1 1812/4885SMN1; SMN2 4708/4885OPRM1 554/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 ALDH1A1 1728/4885SMN1; SMN2 4722/4885OPRM1 507/4885

“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.