SCHEMBL659122

SCHEMBL659122

Cc1cc(OCC(=O)O)c2cccc(O)c2n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.76
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.47
PKM P14618 2/20 0.45
HTT P42858 1/20 0.45
CCR6 P51684 1/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL660649 0.86 KDM4E (0.57) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL6643616 0.83 KDM4E (0.52) KDM4EHPGDMAPTSMN1; SMN2CCR6
SCHEMBL6639297 0.81 KDM4E (0.50) KDM4EALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL6643288 0.80 KDM4E (0.49) KDM4EMAPTSMN1; SMN2HTTCCR6
SCHEMBL6643141 0.78 KDM4E (0.48) KDM4EMAPTSMN1; SMN2CCR6MEN1
SCHEMBL2875528 0.78 CRHR1 (0.55) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL29555308 0.78 CRHR1 (0.55) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL6641024 0.77 HTR1B (0.50) KDM4EMAPTSMN1; SMN2
SCHEMBL30401658 0.77 CRHR1 (0.53) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL29015162 0.77 CRHR1 (0.53) KDM4EALDH1A1HPGDMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-11-08 US disclosed
US-8252793-B2 Bradykinin receptor agonists and uses thereof to treat ocular hypertension and glaucoma ALCON RESEARCH, LTD. (US) 2012-08-28 US disclosed
WO-2012024419-A2 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ALCON RESEARCH, LTD. (US) 2012-02-23 WO disclosed
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-02-23 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-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR KDM4E 3092/4885ALDH1A1 3886/4885HPGD 154/4885
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR KDM4E 3092/4885ALDH1A1 3886/4885HPGD 154/4885

“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.