SCHEMBL4622848

SCHEMBL4622848

COc1ccc2c(c1)CCC(C(=O)O)C2=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 6/20 0.58
CYP26A1 O43174 4/20 0.58
CYP27A1 Q02318 3/20 0.55
CYP19A1 P11511 1/20 0.55
DRD2 P14416 2/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
MIF P14174 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
METAP1 P53582 2/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL7979383 0.89 CYP19A1 (0.55) CYP24A1CYP26A1CYP27A1CYP19A1KDM4E
SCHEMBL8921371 0.87 CYP24A1 (0.54) CYP24A1CYP26A1CYP27A1CYP19A1DRD2
SCHEMBL5217220 0.86 MAPK1 (0.53) CYP24A1CYP26A1CYP27A1CYP19A1DRD2
SCHEMBL4548389 0.84 CYP24A1 (0.55) CYP24A1CYP26A1CYP27A1CYP19A1DRD2
SCHEMBL4098450 0.84 CYP24A1 (0.54) CYP24A1CYP26A1CYP27A1CYP19A1DRD2
SCHEMBL8921424 0.84 CYP24A1 (0.51) CYP24A1CYP26A1CYP27A1CYP19A1DRD2
SCHEMBL7290713 0.83 CYP24A1 (0.53) CYP24A1CYP26A1CYP27A1CYP19A1DRD2
SCHEMBL972021 0.83 CYP24A1 (0.53) CYP24A1CYP26A1CYP27A1CYP19A1DRD2
SCHEMBL22302863 0.82 CYP24A1 (0.53) CYP24A1CYP26A1CYP27A1CYP19A1DRD2
SCHEMBL4548390 0.81 CYP24A1 (0.51) CYP24A1CYP26A1CYP27A1CYP19A1DRD2

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-0971878-B1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-03-26 EP disclosed
US-7256204-B2 Amine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-14 US disclosed
CN-1271055-C Urea and thiourea derivatives as non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2006-08-23 CN disclosed
CN-1575280-A Urea and thiourea derivatives as non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2005-02-02 CN disclosed
US-20040077867-A1 Amine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US disclosed
US-6613805-B2 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-02 US disclosed
US-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders THE UNIVERSITY OF TOKYO (JP) 2002-03-14 US disclosed
US-6310107-B1 (+)-6-(4-BIPHENYLYL)METHOXY-2-(2-(N,N-DIMETHYLAMINO)ETHYL)TETR ALIN, OR A SALT IS USEFUL FOR INHIBITING PRODUCTION AND/OR SECRETION OF AMYLOID-BETA PROTEIN TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-30 US disclosed
EP-0279466-B1 NOVEL NAPHTHALENE DERIVATIVES AND ANTIALLERGY AND ANTI-INFLAMMATORY PHARMACEUTICALS WARNER-LAMBERT COMPANY (US) 1993-05-19 EP disclosed
US-4767776-A N-1H-tetrazol-5-yl-2-naphthalene carboxamides and their use as antiallergy and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1988-08-30 US disclosed
EP-0279466-A2 Novel naphthalene derivatives and antiallergy and anti-inflammatory pharmaceuticals WARNER-LAMBERT COMPANY (US) 1988-08-24 EP 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-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders PARK7, PSEN1, PRNP CYP24A1 2471/4885CYP26A1 3014/4885CYP27A1 1819/4885
US-20040077867-A1 Amine compounds, their production and use QSOX1, APP, NPR1 CYP24A1 2097/4885CYP26A1 826/4885CYP27A1 868/4885

“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.