SCHEMBL491280

SCHEMBL491280

COC(=O)C(CC(C)C)c1cc(O)cc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
TAS1R3 Q7RTX0 4/20 0.44
TAS1R1 Q7RTX1 4/20 0.44
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
HSP90AB1 P08238 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL2848810 0.84 ESR1 (0.44) ESR1ESR2TAS1R3TAS1R1TSHR
SCHEMBL2861717 0.82 ESR1 (0.47) ESR1ESR2CA12CA1CA2
SCHEMBL3903822 0.81 PSEN1 (0.51) ESR1ESR2TAS1R3TAS1R1
SCHEMBL10084728 0.80 CXCR2 (0.39) FOLH1ESR1ESR2TAS1R3TAS1R1
SCHEMBL491409 0.79 PSEN1 (0.65)
SCHEMBL3905630 0.78 PSEN1 (0.47) FOLH1
SCHEMBL1592630 0.78 PSEN1 (0.47) ESR1ESR2TAS1R3TAS1R1
SCHEMBL11508430 0.77 KMT2A (0.56) ESR1ESR2CA12CA2CA7
SCHEMBL491604 0.76 PSEN1 (0.46) FOLH1ESR1ESR2TAS1R3TAS1R1
SCHEMBL5050127 0.76 MT-CO2 (0.47) ESR1ESR2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2016039-B1 TERPHENYL DERIVATIVES FOR TREATMENT OF ALZHEIMER' S DISEASE ORTHO MCNEIL JANSSEN PHARM (US) 2012-08-01 EP disclosed
EP-2016039-B1 TERPHENYL DERIVATIVES FOR TREATMENT OF ALZHEIMER' S DISEASE ORTHO MCNEIL JANSSEN PHARM (US) 2012-08-01 EP disclosed
US-8106236-B2 Triaryl compounds and derivates thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2012-01-31 US disclosed
US-8106236-B2 Triaryl compounds and derivates thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2012-01-31 US disclosed
US-8106236-B2 Triaryl compounds and derivates thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2012-01-31 US disclosed
EP-2016039-A1 TERPHENYL DERIVATIVES FOR TREATMENT OF ALZHEIMER' S DISEASE Ortho-Mcneil Pharmaceutical, Inc. (US) 2009-01-21 EP disclosed
WO-2007124351-A1 TERPHENYL DERIVATIVES FOR TREATMENT OF ALZHEIMER' S DISEASE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-11-01 WO disclosed
WO-2007124351-A1 TERPHENYL DERIVATIVES FOR TREATMENT OF ALZHEIMER' S DISEASE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-11-01 WO disclosed
US-20070254957-A1 TRIARYL COMPOUNDS AND DERIVATES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. 2007-11-01 US disclosed
US-20070254957-A1 TRIARYL COMPOUNDS AND DERIVATES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. 2007-11-01 US disclosed
US-20070254957-A1 TRIARYL COMPOUNDS AND DERIVATES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. 2007-11-01 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 (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-20070254957-A1 TRIARYL COMPOUNDS AND DERIVATES THEREOF BACE1, BACE2, APP FOLH1 2422/4885ESR1 1013/4885ESR2 901/4885

“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.