SCHEMBL2676983

SCHEMBL2676983

C[C@H](OC=O)[C@H]1CC[C@H]2C(=O)CCC[C@@]12C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.42
▸ CDC25A P30304 2/20 0.39
▸ CDC25B P30305 1/20 0.39
▸ VDR P11473 10/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC6 Q9UBN7 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
SCHEMBL5546805 1.00 CYP19A1 (0.42) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL2676980 1.00 CYP19A1 (0.42) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL20243735 0.84 CYP19A1 (0.45) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL3516877 0.81 CYP19A1 (0.45) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL9010563 0.81 CYP19A1 (0.45) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL17354893 0.81 CYP19A1 (0.45) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL3519758 0.81 CYP19A1 (0.45) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL12464613 0.81 CYP19A1 (0.45) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL3516879 0.81 CYP19A1 (0.45) CYP19A1CDC25ACDC25BVDRMEN1
SCHEMBL3519755 0.81 CYP19A1 (0.45) CYP19A1CDC25ACDC25BVDRMEN1

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-8173824-B2 Process for producing vitamin D derivative using convergent method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-05-08 — — US disclosed
US-20100217020-A1 PROCESS FOR PRODUCING VITAMIN D DERIVATIVE USING CONVERGENT METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-08-26 — — US disclosed
EP-1955999-A1 METHOD FOR PRODUCING VITAMIN D DERIVATIVE BY USING CONVERGENT METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-08-13 — — EP 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-20100217020-A1 PROCESS FOR PRODUCING VITAMIN D DERIVATIVE USING CONVERGENT METHOD CYP2R1, CYP24A1, VDR CYP19A1 50/4885CDC25A 2748/4885CDC25B 3940/4885

“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