SCHEMBL229168

SCHEMBL229168

CCCc1cc(C(O)(CC)CC)ccc1-c1cc(OCc2ccc(CO)c(CO)c2)ccc1CC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 1.00
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
S1PR1 P21453 2/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAOB P27338 8/20 0.32
ALOX5 P09917 1/20 0.32
ACHE P22303 2/20 0.32
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
POLB P06746 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR5 Q9H228 1/20 0.31
FFAR1 O14842 1/20 0.31
MAOA P21397 1/20 0.30

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
SCHEMBL4888601 0.96 VDR (0.92) VDRRAB9AKMT2AS1PR1NPC1
SCHEMBL2854911 0.94 VDR (0.88) VDRMAOBALOX5MAOA
SCHEMBL2641441 0.91 VDR (0.84) VDRRAB9AKMT2AS1PR1NPC1
SCHEMBL3832679 0.91 VDR (0.84) VDRRAB9AKMT2AS1PR1NPC1
SCHEMBL6563016 0.89 VDR (0.80) VDRS1PR1MAOBALOX5S1PR5
SCHEMBL4884277 0.88 VDR (0.79) VDR
SCHEMBL4893153 0.87 VDR (0.83) VDRALOX5
SCHEMBL4881104 0.87 VDR (0.77) VDRRAB9AKMT2AS1PR1NPC1
SCHEMBL6564164 0.87 VDR (0.77) VDRS1PR1MAOBALOX5PPARD
SCHEMBL6576788 0.87 VDR (0.76) VDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243297-A1 PETROLEUM JELLY-FREE UNGUENT COMPOSITIONS COMPRISING VITAMIN D COMPOUNDS AND OPTIONALLY STEROIDAL ANTI-INFLAMMATORY AGENTS GALDERMA S.A. (CH) 2014-08-28 US claimed
US-8741878-B2 Petroleum jelly-free unguent compositions comprising vitamin D compounds and optionally steroidal anti-inflammatory agents GALDERMA S.A. (CH) 2014-06-03 US claimed
US-8741879-B2 Petroleum jelly-free unguent compositions comprising vitamin D compounds and optionally steroidal anti-inflammatory agents GALDERMA S.A. (CH) 2014-06-03 US claimed
US-20130012484-A1 PETROLEUM JELLY-FREE UNGUENT COMPOSITIONS COMPRISING VITAMIN D COMPOUNDS AND OPTIONALLY STEROIDAL ANTI-INFLAMMATORY AGENTS GALDERMA S.A. (CH) 2013-01-10 US claimed
EP-2419082-A2 TOPICAL PHARMACEUTICAL COMPOSITION CONTAINING A WATER-SENSITIVE ACTIVE PRINCIPLE Galderma S.A. (CH) 2012-02-22 EP claimed
US-20120004200-A1 TOPICAL PHARMACEUTICAL COMPOSITION CONTAINING A WATER-SENSITIVE ACTIVE PRINCIPLE GALDERMA S.A. (CH) 2012-01-05 US claimed
EP-1814847-B1 NOVEL METHOD FOR PREPARING 3-[5'-(3,4-BIS-HYDROXYMETHYL-BENZYLOXY)-2'- ETHYL-2-PROPYL-BIPHENYL-4-YL]-PENTA-3-OL GALDERMA RES & DEV (FR) 2011-01-12 EP claimed
US-20100286285-A1 Pharmaceutical composition comprising oleaginous ointments and vitamin D or its derivatives in the solubilized state GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-11-11 US claimed
WO-2010072958-A2 TOPICAL PHARMACEUTICAL COMPOSITION CONTAINING A WATER-SENSITIVE ACTIVE PRINCIPLE GALDERMA S.A. (CH) 2010-07-01 WO claimed
US-7638657-B2 Preparation of 3-[5′-(3,4-bis(hydroxymethyl)benzyloxy)-2′-ethyl-2-propylbiphenyl-4-yl]pentan-3-ol GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-12-29 US claimed
EP-1885374-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN OLEAGINOUS OINTMENT AND VITAMIN D OR THE DERIVATIVES THEREOF IN SOLUBILISED FORM Galderma Research & Development (FR) 2008-02-13 EP claimed
US-20070282136-A1 Preparation of 3-[5'-(3,4-bis(hydroxymethyl)benzyloxy)-2'-ethyl-2-propylbiphenyl-4-yl]pentan-3-ol GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-06 US claimed
EP-1814847-A1 NOVEL METHOD FOR PREPARING 3-[5'-(3,4-BIS-HYDROXYMETHYL-BENZYLOXY)-2'- ETHYL-2-PROPYL-BIPHENYL-4-YL]-PENTA-3-OL Galderma Research & Development (FR) 2007-08-08 EP claimed
WO-2006134272-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ORGANOPOLYSILOXANE ELASTOMER AND A SOLUBILIZED ACTIVE PRINCIPLE GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-12-21 WO claimed
WO-2006123031-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN OLEAGINOUS OINTMENT AND VITAMIN D OR THE DERIVATIVES THEREOF IN SOLUBILISED FORM GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-11-23 WO claimed
WO-2006053985-A1 NOVEL METHOD FOR PREPARING 3-[5'-(3,4-BIS-HYDROXYMETHYL-BENZYLOXY)-2'- ETHYL-2-PROPYL-BIPHENYL-4-YL]-PENTA-3-OL GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-05-26 WO claimed
US-20060029623-A1 Invert emulsions comprising at least one active agent sensitive to water and cosmetic/dermatological applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-02-09 US claimed
EP-1592452-A2 INVERT EMULSION TYPE COMPOSITION CONTAINING AT LEAST ONE ACTIVE AGENT SENSITIVE TO THE PRESENCE OF WATER, AND ITS USES IN COSMETICS AND IN DERMATOLOGY Galderma Research & Development, S.N.C. (FR) 2005-11-09 EP claimed
US-6924400-B2 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2005-08-02 US claimed
WO-2004069134-A2 INVERT EMULSION TYPE COMPOSITION CONTAINING AT LEAST ONE ACTIVE AGENT SENSITIVE TO THE PRESENCE OF WATER, AND ITS USES IN COSMETICS AND IN DERMATOLOGY GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-08-19 WO claimed

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-20100286285-A1 Pharmaceutical composition comprising oleaginous ointments and vitamin D or its derivatives in the solubilized state CYP24A1, VDR, CYP2R1 VDR 2/4885RAB9A 4442/4885KMT2A 4297/4885
US-20070282136-A1 Preparation of 3-[5'-(3,4-bis(hydroxymethyl)benzyloxy)-2'-ethyl-2-propylbiphenyl-4-yl]pentan-3-ol PARP2, CYP4B1, CYP8B1 VDR 591/4885RAB9A 2546/4885KMT2A 3888/4885

“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.