SCHEMBL13298441

SCHEMBL13298441

CC(C)(C)C#CCO[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 1/20 0.40
▸ CDC25B P30305 1/20 0.40
▸ VDR P11473 1/20 0.32

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
SCHEMBL13317672 0.79 CDC25A (0.42) CDC25ACDC25B
SCHEMBL13298446 0.72 CYP19A1 (0.39) VDR
SCHEMBL7145450 0.67 CDC25A (0.38) CDC25ACDC25B
SCHEMBL8229897 0.67 CDC25A (0.38) CDC25ACDC25B
SCHEMBL8107009 0.67 CDC25A (0.38) CDC25ACDC25B
SCHEMBL27461585 0.67 CDC25A (0.38) CDC25ACDC25B
SCHEMBL9718353 0.67 CDC25A (0.56) CDC25ACDC25B
SCHEMBL9679574 0.67 CDC25A (0.56) CDC25ACDC25B
SCHEMBL14294634 0.66 CDC25A (0.38) CDC25ACDC25B
SCHEMBL6694809 0.66 CDC25A (0.38) CDC25ACDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114013-A1 LOW CALCEMIC, HIGHLY ANTIPROLIFERATIVE, ANALOGS OF CALCITRIOL NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2017-04-27 — — US disclosed
US-20170114013-A1 LOW CALCEMIC, HIGHLY ANTIPROLIFERATIVE, ANALOGS OF CALCITRIOL NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2017-04-27 — — US disclosed
US-9481646-B2 Low calcemic, highly antiproliferative, analogs of calcitriol THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-01 — — US disclosed
US-9481646-B2 Low calcemic, highly antiproliferative, analogs of calcitriol THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-01 — — US disclosed
US-20100137262-A1 Low Calcemic, Highly Antiproliferative, Analogs of Calcitriol NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-06-03 — — 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-20170114013-A1 LOW CALCEMIC, HIGHLY ANTIPROLIFERATIVE, ANALOGS OF CALCITRIOL VDR, CYP24A1, CYP27B1 CDC25A 85/4885CDC25B 147/4885VDR 1/4885
US-20100137262-A1 Low Calcemic, Highly Antiproliferative, Analogs of Calcitriol VDR, CYP24A1, CYP27B1 CDC25A 85/4885CDC25B 147/4885VDR 1/4885

“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