Sugi Predict

Sugi Predict / Compounds / SCHEMBL1024088

SCHEMBL1024088

SCHEMBL1024088

CCCc1cc(C(=O)CC)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ PPARG P37231 6/20 0.48
▸ PPARA Q07869 6/20 0.48
▸ HSP90AA1 P07900 1/20 0.47
▸ HSP90AB1 P08238 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ ALOX5 P09917 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ PRKCI P41743 1/20 0.45
▸ JAK2 O60674 1/20 0.44
▸ HSD17B1 P14061 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL481263 0.88 HSP90AA1 (0.50) HTTALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL2856590 0.87 HTT (0.68) HTTALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL10807511 0.86 HTT (0.48) HTTALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL4344454 0.86 HTT (0.48) HTTALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL8654136 0.85 HSP90AA1 (0.50) HTTALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL2003391 0.84 POLB (0.53) HTTALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL9616832 0.84 PKM (0.68) HTTALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL14357335 0.84 PKM (0.68) HTTALDH1A1HPGDHSP90AA1HSP90AB1
SCHEMBL2005197 0.82 HSP90AA1 (0.47) HTTALDH1A1HPGDHSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL10743936 0.81 HTT (0.60) HTTALDH1A1HPGDHSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-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
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 disclosed
EP-1456160-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2010-01-20 — — EP disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
EP-1740522-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D SB 3 /SB RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-01-10 — — EP disclosed
US-6924400-B2 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2005-08-02 — — US disclosed
EP-1456160-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-09-15 — — EP disclosed
US-20030195259-A1 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-10-16 — — US disclosed
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 — — EP disclosed
WO-2003050067-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2003-06-19 — — WO disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 — — EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 — — EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 — — 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 (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-20030195259-A1 Triaromatic vitamin D analogues CYP24A1, CYP2R1, VDR HTT 2386/4885ALDH1A1 151/4885HPGD 85/4885
US-20070282136-A1 Preparation of 3-[5'-(3,4-bis(hydroxymethyl)benzyloxy)-2'-ethyl-2-propylbiphenyl-4-yl]pentan-3-ol PARP2, CYP4B1, CYP8B1 HTT 2879/4885ALDH1A1 550/4885HPGD 723/4885

“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.