SCHEMBL1023633

SCHEMBL1023633

CCCc1cc(C(=O)CC)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.46
PPARA Q07869 11/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLA2G2D Q9UNK4 1/20 0.39
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
PPARD Q03181 1/20 0.36

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
SCHEMBL6475815 0.91 MEN1 (0.44) PPARGPPARAMEN1KMT2AHPGD
SCHEMBL36007 0.86 PPARG (0.43) PPARGPPARAMEN1KMT2AHPGD
SCHEMBL3817347 0.82 MEN1 (0.59) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL6472219 0.80 MEN1 (0.41) PPARAMEN1KMT2AHPGDNPC1
SCHEMBL9123311 0.77 CYP4F2 (0.38) KMT2AHPGDNPC1SMN1; SMN2
SCHEMBL5153519 0.77 PPARD (0.42) PPARGPPARADRD2DRD1DRD4
SCHEMBL2392159 0.77 KDM4E (0.47) MEN1KMT2AHPGDSMN1; SMN2KDM4E
SCHEMBL4838343 0.76 CYP4A11 (0.47) HPGDNPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4376769 0.75 DRD2 (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4774778 0.74 CYP4A11 (0.47) HPGDNPC1KDM4EALDH1A1

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 7 patents. 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
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-6924400-B2 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2005-08-02 US disclosed
US-20030195259-A1 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-10-16 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 (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 PPARG 96/4885PPARA 204/4885MEN1 945/4885
US-20070282136-A1 Preparation of 3-[5'-(3,4-bis(hydroxymethyl)benzyloxy)-2'-ethyl-2-propylbiphenyl-4-yl]pentan-3-ol PARP2, CYP4B1, CYP8B1 PPARG 1515/4885PPARA 1082/4885MEN1 2301/4885

“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.