Sugi Predict

Sugi Predict / Compounds / SCHEMBL3177008

SCHEMBL3177008

SCHEMBL3177008

CC(C)(O)CCCC(CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3\CC(O)C[C@H](O)C3)CCC[C@]12C

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 12/20 0.84
▸ NR1I2 O75469 1/20 0.62
▸ ABCB11 O95342 1/20 0.62
▸ GC P02774 1/20 0.62
▸ PGR P06401 1/20 0.62
▸ ADORA3 P0DMS8 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ RXRA P19793 1/20 0.62
▸ CHRM3 P20309 1/20 0.62
▸ CNR1 P21554 1/20 0.62
▸ SLC6A2 P23975 1/20 0.62
▸ HTR2C P28335 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ AGTR1 P30556 1/20 0.62
▸ SLC6A4 P31645 1/20 0.62
▸ ADRA1A P35348 1/20 0.62
▸ PTGS2 P35354 1/20 0.62
▸ OPRD1 P41143 1/20 0.62
▸ OPRK1 P41145 1/20 0.62
▸ SLC6A3 Q01959 1/20 0.62

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
SCHEMBL13392705 1.00 VDR (0.84) VDRNR1I2ABCB11GCPGR
SCHEMBL13392172 1.00 VDR (0.84) VDRNR1I2ABCB11GCPGR
SCHEMBL14005556 0.94 VDR (0.78) VDR
SCHEMBL14564848 0.94 VDR (0.74) VDRNR1I2ABCB11GCPGR
SCHEMBL14005513 0.94 VDR (0.74) VDRNR1I2ABCB11GCPGR
SCHEMBL14005558 0.94 VDR (0.74) VDRNR1I2ABCB11GCPGR
SCHEMBL13392211 0.94 VDR (0.74) VDRNR1I2ABCB11GCPGR
SCHEMBL14005415 0.94 VDR (0.74) VDRNR1I2ABCB11GCPGR
SCHEMBL13427449 0.94 VDR (0.74) VDRNR1I2ABCB11GCPGR
SCHEMBL14005440 0.93 VDR (0.73) VDRNR1I2ABCB11GCPGR

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093675-A1 NOVEL METHOD BIOXELL S.P.A. (IT) 2010-04-15 — — US claimed
US-20100069339-A1 NOVEL METHOD OF TREATMENT OF MALE SUB-FERTILITY BIOXELL S.P.A. (IT) 2010-03-18 — — US claimed
EP-2073814-A2 NOVEL METHOD OF TREATMENT OF MALE SUB-FERTILITY Bioxell S.p.a. (IT) 2009-07-01 — — EP claimed
EP-2063899-A2 USE OF VITAMIN D COMPOUNDS FOR THE PREVENTION OF ADHESIONS Bioxell S.p.a. (IT) 2009-06-03 — — EP claimed
US-20080280860-A1 Use of Vitamin D Compounds to Treat Endometriosis BIOXELL S.P.A. (IT) 2008-11-13 — — US claimed
WO-2008043857-A2 NOVEL METHOD OF TREATMENT OF MALE SUB-FERTILITY BIOXELL SPA (IT) 2008-04-17 — — WO claimed
WO-2008034908-A2 USE OF VITAMIN D COMPOUNDS FOR THE PREVENTION OF ADHESIONS BIOXELL SPA (IT) 2008-03-27 — — WO claimed
US-20100222307-A1 VITAMIN D AND VITAMIN D ANALOGS OR DERIVATIVES AS NEW ANTI-HYPERTENSIVE AGENTS THE UNIVERSITY OF CHICAGO (US) 2010-09-02 — — 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
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-20080293647-A1 Combined Use Of Vitamin D Derivatives And Anti-Proliferative Agents For Treating Bladder Cancer BIOXELL S.P.A. (IT) 2008-11-27 — — US disclosed
WO-2006035075-A1 USE OF VITAMIN D COMPOUNDS FOR THE PREVENTION OR TREATMENT OF CHRONIC PROSTATITIS BIOXELL SPA (IT) 2006-04-06 — — WO disclosed
WO-2005082375-A2 TREATMENT OF INTERSTITIAL CYSTITIS WITH VITAMIN D COMPOUNDS BIOXELL SPA (IT) 2005-09-09 — — WO disclosed
US-20050113348-A1 Vitamin D and vitamin D analogs or derivatives as new anti-hypertensive agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-05-26 — — US disclosed
WO-2005030223-A1 METHODS FOR TREATING BLADDER DYSFUNCTION BIOXELL, S.P.A. (IT) 2005-04-07 — — WO disclosed
EP-0980354-B1 VITAMIN D3 ANALOGS WITH BIS C-20 SIDE CHAINS HOFFMANN LA ROCHE (CH) 2002-06-19 — — EP disclosed
US-6030962-A FOR TREATING OSTEOPOROSIS, HYPERPARATHYROIDISM AND AUTOIMMUNE DISEASES SYNTTEX (U.S.A.) INC. (US) 2000-02-29 — — US disclosed
US-6008209-A INDUCING INHIBITION OF CELL PROLIFERATION IN A BREAST TUMOR BY ADMINISTERING AN ANTITUMOR AGENT HOFFMANN-LA ROCHE INC. (US) 1999-12-28 — — 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 (6 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 5/4885NR1I2 1015/4885ABCB11 4156/4885
US-20100222307-A1 VITAMIN D AND VITAMIN D ANALOGS OR DERIVATIVES AS NEW ANTI-HYPERTENSIVE AGENTS VDR, GC, CYP24A1 VDR 1/4885NR1I2 30/4885ABCB11 2586/4885
US-20080293647-A1 Combined Use Of Vitamin D Derivatives And Anti-Proliferative Agents For Treating Bladder Cancer VDR, CYP24A1, CYP27B1 VDR 1/4885NR1I2 3161/4885ABCB11 2848/4885
US-20080280860-A1 Use of Vitamin D Compounds to Treat Endometriosis VDR, CYP24A1, CYP2R1 VDR 1/4885NR1I2 355/4885ABCB11 3048/4885
US-20050113348-A1 Vitamin D and vitamin D analogs or derivatives as new anti-hypertensive agents VDR, GC, CYP24A1 VDR 1/4885NR1I2 30/4885ABCB11 2586/4885
US-20100093675-A1 NOVEL METHOD GC, VDR, CYP24A1 VDR 2/4885NR1I2 3518/4885ABCB11 4598/4885

“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.