SCHEMBL533192

SCHEMBL533192

CCCOc1cccc(-c2cc[c]cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ERN1 O75460 1/20 0.50
KMT2A Q03164 2/20 0.47
SLC13A5 Q86YT5 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LTA4H P09960 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
FDFT1 P37268 1/20 0.44
BACE1 P56817 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSA P10619 1/20 0.42
FPR2 P25090 1/20 0.42
TSHR P16473 1/20 0.41
SMARCA2 P51531 1/20 0.41

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
SCHEMBL198917 0.88 KDM4E (0.59) KDM4EERN1KMT2ASLC13A5CYP1A2
SCHEMBL9140016 0.87 KDM4E (0.46) KDM4EERN1KMT2ASLC13A5CYP1A2
SCHEMBL534325 0.86 RXRA (0.58) KDM4ESLC13A5CYP19A1RXRARXRB
SCHEMBL15473215 0.86 KMT2A (0.57) KDM4EERN1KMT2ASLC13A5CYP1A2
SCHEMBL533061 0.80 CYP3A4 (0.52) KDM4EERN1KMT2ACYP1A2CYP19A1
SCHEMBL1337028 0.80 KDM4E (0.57) KDM4EERN1KMT2ASLC13A5RXRA
SCHEMBL6200091 0.80 KDM4E (0.51) KDM4EERN1KMT2ASLC13A5CYP1A2
SCHEMBL2574296 0.79 SLC13A5 (0.54) KDM4EERN1KMT2ASLC13A5RXRA
SCHEMBL693938 0.79 HSD17B1 (0.43) LTA4HRXRARXRBCTSA
SCHEMBL197506 0.78 CYP19A1 (0.64) KDM4EKMT2ACYP1A2CYP19A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 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 (3 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-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 KDM4E 2779/4885ERN1 3359/4885KMT2A 723/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 KDM4E 2804/4885ERN1 3533/4885KMT2A 820/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 KDM4E 3706/4885ERN1 4741/4885KMT2A 3385/4885

“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.