Sugi Predict

Sugi Predict / Compounds / SCHEMBL4664282

SCHEMBL4664282

SCHEMBL4664282

CCC(C)c1cc(C(CC)(CC)c2ccc(C(=O)O)o2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.51
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ ESR1 P03372 6/20 0.38
▸ ESR2 Q92731 4/20 0.38
▸ TSHR P16473 1/20 0.38
▸ THRA P10827 8/20 0.37
▸ THRB P10828 8/20 0.37
▸ AR P10275 2/20 0.37
▸ KLKB1 P03952 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ DNMT1 P26358 1/20 0.33
▸ DNMT3B Q9UBC3 1/20 0.33
▸ DNMT3L Q9UJW3 1/20 0.33
▸ DNMT3A Q9Y6K1 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4631757 0.87 RORC (0.48) RORCNPC1RAB9AESR1ESR2
SCHEMBL4632104 0.87 RORC (0.48) RORCNPC1RAB9AESR1ESR2
SCHEMBL4630973 0.83 ESR1 (0.57) ESR1ESR2AR
SCHEMBL4632264 0.70 VDR (0.47) AR
SCHEMBL4630974 0.70 ESR1 (0.53) ESR1ESR2AR
SCHEMBL30028173 0.70 RORC (0.65) RORCESR1ESR2TSHRTHRA
SCHEMBL11876501 0.70 RORC (0.75) RORCNPC1RAB9AESR1ESR2
SCHEMBL125246 0.69 RORC (1.00) RORCESR1ESR2TSHRTHRA
SCHEMBL29393026 0.69 RORC (1.00) RORCESR1ESR2TSHRTHRA
SCHEMBL29492951 0.69 RORC (1.00) RORCESR1ESR2TSHRTHRA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468449-B2 Phenyl-furan compounds as vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2008-12-23 — — US disclosed
US-7468449-B2 Phenyl-furan compounds as vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2008-12-23 — — US disclosed
US-7468449-B2 Phenyl-furan compounds as vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2008-12-23 — — US disclosed
EP-1692123-B1 PHENYL-FURAN COMPOUNDS AS VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2008-05-28 — — EP disclosed
US-20070105951-A1 Phenyl-furan compounds as vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 — — US disclosed
US-20070105951-A1 Phenyl-furan compounds as vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 — — US disclosed
US-20070105951-A1 Phenyl-furan compounds as vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 — — US disclosed
EP-1692123-A1 PHENYL-FURAN COMPOUNDS AS VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-08-23 — — EP disclosed
WO-2005051936-A1 PHENYL-FURAN COMPOUNDS AS VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-09 — — 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 (1 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-20070105951-A1 Phenyl-furan compounds as vitamin d receptor modulators VDR, CYP24A1, CYP2R1 RORC 26/4885NPC1 2739/4885RAB9A 3732/4885

“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.