SCHEMBL3258795

SCHEMBL3258795

CC(C)(O)CCCC(C)(CCCC(C)(C)O)C1CCC2C(=O)CCC[C@@]21C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 12/20 0.41
▸ CYP19A1 P11511 2/20 0.40
▸ MAPT P10636 2/20 0.36
▸ SREBF1 P36956 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NR1I2 O75469 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ GC P02774 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ AGTR1 P30556 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ PTGS2 P35354 1/20 0.35

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
SCHEMBL3297400 1.00 VDR (0.41) VDRCYP19A1MAPTSREBF1SMN1; SMN2
SCHEMBL3258798 1.00 VDR (0.41) VDRCYP19A1MAPTSREBF1SMN1; SMN2
SCHEMBL13588190 0.89 VDR (0.36) VDRCYP19A1MAPTSREBF1SMN1; SMN2
SCHEMBL13410629 0.89 VDR (0.36) VDRCYP19A1MAPTSREBF1SMN1; SMN2
SCHEMBL13875473 0.86 VDR (0.33) VDRCYP19A1
SCHEMBL13392980 0.85 VDR (0.34) VDRCYP19A1MAPTSREBF1SMN1; SMN2
SCHEMBL3300947 0.85 VDR (0.34) VDRCYP19A1MAPTSREBF1SMN1; SMN2
SCHEMBL3260426 0.85 VDR (0.34) VDRCYP19A1MAPTSREBF1SMN1; SMN2
SCHEMBL13392819 0.85 VDR (0.34) VDRCYP19A1MAPTSREBF1SMN1; SMN2
SCHEMBL3260431 0.85 VDR (0.34) VDRCYP19A1MAPTSREBF1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093675-A1 NOVEL METHOD BIOXELL S.P.A. (IT) 2010-04-15 — — US disclosed
US-20100093675-A1 NOVEL METHOD BIOXELL S.P.A. (IT) 2010-04-15 — — US disclosed
US-20100069339-A1 NOVEL METHOD OF TREATMENT OF MALE SUB-FERTILITY BIOXELL S.P.A. (IT) 2010-03-18 — — US disclosed
US-20100069339-A1 NOVEL METHOD OF TREATMENT OF MALE SUB-FERTILITY BIOXELL S.P.A. (IT) 2010-03-18 — — US disclosed
US-20100069339-A1 NOVEL METHOD OF TREATMENT OF MALE SUB-FERTILITY BIOXELL S.P.A. (IT) 2010-03-18 — — US disclosed
EP-2073814-A2 NOVEL METHOD OF TREATMENT OF MALE SUB-FERTILITY Bioxell S.p.a. (IT) 2009-07-01 — — EP disclosed
EP-2063899-A2 USE OF VITAMIN D COMPOUNDS FOR THE PREVENTION OF ADHESIONS Bioxell S.p.a. (IT) 2009-06-03 — — EP disclosed
US-20090099140-A1 20-Alkyl, Gemini Vitamin D3 Compounds and Methods of Use Thereof BIOXELL S.P.A. (IT) 2009-04-16 — — US disclosed
US-20090099140-A1 20-Alkyl, Gemini Vitamin D3 Compounds and Methods of Use Thereof BIOXELL S.P.A. (IT) 2009-04-16 — — US disclosed
WO-2008043857-A2 NOVEL METHOD OF TREATMENT OF MALE SUB-FERTILITY BIOXELL SPA (IT) 2008-04-17 — — WO disclosed
WO-2008034908-A2 USE OF VITAMIN D COMPOUNDS FOR THE PREVENTION OF ADHESIONS BIOXELL SPA (IT) 2008-03-27 — — WO disclosed
WO-2008034908-A2 USE OF VITAMIN D COMPOUNDS FOR THE PREVENTION OF ADHESIONS BIOXELL SPA (IT) 2008-03-27 — — WO 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 (3 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-20100069339-A1 NOVEL METHOD OF TREATMENT OF MALE SUB-FERTILITY CYP27B1, CYP2R1, SHBG VDR 5/4885CYP19A1 25/4885MAPT 4547/4885
US-20100093675-A1 NOVEL METHOD GC, VDR, CYP24A1 VDR 2/4885CYP19A1 2283/4885MAPT 4570/4885
US-20090099140-A1 20-Alkyl, Gemini Vitamin D3 Compounds and Methods of Use Thereof VDR, CYP24A1, CYP2R1 VDR 1/4885CYP19A1 141/4885MAPT 3551/4885

“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.

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