SCHEMBL3168286

SCHEMBL3168286

C=C1CCC(O[Si](C)(C)C(C)(C)C)CC1=CC=C1CCCC2(C)C1CCC2C(C)C=CC(C)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.69
▸ ALOX15 P16050 3/20 0.69
▸ CYP3A4 P08684 3/20 0.69
▸ LMNA P02545 2/20 0.69
▸ ADRA1A P35348 2/20 0.69
▸ HSPD1 P10809 2/20 0.69
▸ PTGS1 P23219 2/20 0.69
▸ HSPE1 P61604 2/20 0.69
▸ AR P10275 1/20 0.69
▸ TSHR P16473 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ USP2 O75604 1/20 0.69
▸ ABCB11 O95342 1/20 0.69
▸ ESR1 P03372 1/20 0.69
▸ TST Q16762 1/20 0.69
▸ VDR P11473 4/20 0.57
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ PGR P06401 3/20 0.53

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
SCHEMBL3168280 1.00 ALDH1A1 (0.69) ALDH1A1ALOX15CYP3A4LMNAADRA1A
SCHEMBL10000887 1.00 ALDH1A1 (0.69) ALDH1A1ALOX15CYP3A4LMNAADRA1A
SCHEMBL13392549 1.00 ALDH1A1 (0.69) ALDH1A1ALOX15CYP3A4LMNAADRA1A
SCHEMBL9980567 1.00 ALDH1A1 (0.69) ALDH1A1ALOX15CYP3A4LMNAADRA1A
SCHEMBL14112630 0.93 ALDH1A1 (0.58) ALDH1A1ALOX15CYP3A4LMNAADRA1A
SCHEMBL14112640 0.93 ALDH1A1 (0.58) ALDH1A1ALOX15CYP3A4LMNAADRA1A
SCHEMBL6045249 0.90 VDR (0.60) ALDH1A1ALOX15CYP3A4LMNAADRA1A
SCHEMBL5438456 0.90 VDR (0.60) ALDH1A1ALOX15CYP3A4LMNAADRA1A
SCHEMBL5433038 0.90 VDR (0.60) ALDH1A1ALOX15CYP3A4LMNAADRA1A
SCHEMBL10535348 0.89 ALDH1A1 (0.53) ALDH1A1ALOX15CYP3A4LMNAADRA1A

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-20100069339-A1 NOVEL METHOD OF TREATMENT OF MALE SUB-FERTILITY BIOXELL S.P.A. (IT) 2010-03-18 — — US disclosed
US-20100009949-A1 NOVEL METHOD BIOXELL S.P.A. (IT) 2010-01-14 — — 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-20090137828-A1 Synthesis of 1A-Fluoro-25-Hydroxy-16-23E-Diene-26,27-Bishomo-20-Epi-Cholecalciferol BIOXELL S.P.A. (IT) 2009-05-28 — — US disclosed
WO-2008091686-A2 SYNTHESIS OF 1α-FLUORO-25-HYDROXY-16-23E-DIENE-26,27-BISHOMO-20-EPI-CHOLECALCIFEROL BIOXELL S.P.A. (IT) 2008-07-31 — — WO disclosed
EP-1924268-A2 SYNTHESIS OF 1ALPHA-FLUORO-25-HYDROXY-16-23E-DIENE-26,27-BISHOMO-20-EPI-CHOLECALCIFEROL Bioxell S.p.a. (IT) 2008-05-28 — — EP 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-2007110109-A1 NOVEL METHOD BIOXELL SPA (IT) 2007-10-04 — — WO disclosed
WO-2007022433-A2 SYNTHESIS OF 1α-FLUORO-25-HYDROXY-16-23E-DIENE-26,27-BISHOMO-20-EPI-CHOLECALCIFEROL BIOXELL S.P.A. (IT) 2007-02-22 — — 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 (4 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 ALDH1A1 965/4885ALOX15 1984/4885CYP3A4 1018/4885
US-20090137828-A1 Synthesis of 1A-Fluoro-25-Hydroxy-16-23E-Diene-26,27-Bishomo-20-Epi-Cholecalciferol CYP24A1, CYP2R1, CYP27B1 ALDH1A1 137/4885ALOX15 56/4885CYP3A4 172/4885
US-20100009949-A1 NOVEL METHOD CYP24A1, CYP2R1, CYP27B1 ALDH1A1 1138/4885ALOX15 271/4885CYP3A4 1785/4885
US-20100093675-A1 NOVEL METHOD GC, VDR, CYP24A1 ALDH1A1 1409/4885ALOX15 146/4885CYP3A4 4138/4885

“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