SCHEMBL6861044

SCHEMBL6861044

N#CC1CCc2cc(C(=O)O)ccc2O1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
RXRA P19793 1/20 0.39
NR3C2 P08235 5/20 0.38
SRD5A2 P31213 4/20 0.38
SRD5A1 P18405 3/20 0.38
PGR P06401 1/20 0.38
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL5845061 0.79 ESR1 (0.56) ESR1ESR2
SCHEMBL18144926 0.78 TDP1 (0.55) TDP1ALDH1A1MAPK1RXRASRD5A2
SCHEMBL30036421 0.78 TDP1 (0.59) TDP1ALDH1A1MAPK1RXRASRD5A2
SCHEMBL8372906 0.78 TDP1 (0.72) TDP1ALDH1A1MAPK1RXRASRD5A2
SCHEMBL28452012 0.76 HTR2C (0.48) ALDH1A1MAPK1SRD5A1ESR1ESR2
SCHEMBL10506385 0.75 TDP1 (0.52) TDP1ALDH1A1MAPK1RXRASRD5A2
SCHEMBL6861402 0.75 ALDH1A1 (0.39) TDP1ALDH1A1MAPTESR1ESR2
SCHEMBL22662965 0.74 TDP1 (0.55) TDP1ALDH1A1MAPK1RXRASRD5A2
SCHEMBL22663014 0.74 TDP1 (0.55) TDP1ALDH1A1MAPK1RXRASRD5A2
SCHEMBL6860944 0.74 TDP1 (0.51) TDP1ALDH1A1MAPK1RXRASRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797714-B2 HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION BAYER PHARMACEUTICALS CORPORATION 2004-09-28 US disclosed
US-20030013705-A1 Novel carboxyl substituted chroman derivatives useful as beta 3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-01-16 US disclosed
US-6469031-B1 USEFUL IN THE TREATMENT OF CONDITIONS SUCH AS HYPER-TRIGLYCERIDAEMIA, HYPERCHOLESTEROLAEMIA AND IN LOWERING HIGH DENSITY LIPOPROTEIN LEVELS AS WELL AS IN THE TREATMENT OF ATHEROSCLEROTIC, CARDIOVASCULAR AND DIABETIC CONDITIONS BAYER CORPORATION 2002-10-22 US disclosed
EP-1040106-B1 CARBOXYL SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA 3 ADRENORECEPTOR AGONISTS BAYER AG (US) 2002-08-28 EP disclosed
EP-1040106-A1 CARBOXYL SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA 3 ADRENORECEPTOR AGONISTS Bayer Corporation (US) 2000-10-04 EP disclosed
WO-1999032476-A1 CARBOXYL SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA 3 ADRENORECEPTOR AGONISTS BAYER CORPORATION (US) 1999-07-01 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-20030013705-A1 Novel carboxyl substituted chroman derivatives useful as beta 3 adrenoreceptor agonists ADRB3, ADRB1, ADRB2 TDP1 4547/4885ALDH1A1 1345/4885MAPK1 2688/4885

“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.