SCHEMBL534213

SCHEMBL534213

ClC(Cl)Oc1cccc(-c2cc[c]cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
DRD1 P21728 1/20 0.41
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
PTPN5 P54829 1/20 0.35
EPHX1 P07099 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
FABP7 O15540 1/20 0.34
FABP3 P05413 1/20 0.34
FABP5 Q01469 1/20 0.34
CNR1 P21554 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL534096 0.82 RXRA (0.59) RXRARXRBDRD1MAOBMAOA
SCHEMBL534127 0.82 DRD1 (0.59) RXRARXRBDRD1MAOBMAOA
SCHEMBL533293 0.79 DRD1 (0.33) DRD1CYP1A2CYP2C9CYP2C19
SCHEMBL533475 0.76 DRD1 (0.35) RXRARXRBDRD1MAOBEPHX1
SCHEMBL533719 0.76 CYP3A4 (0.55) MAOBCYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL6099009 0.74 FFAR4 (0.48) MAOB
SCHEMBL22127721 0.74 ABL1 (0.56) MAOBCYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL533169 0.74
SCHEMBL11973522 0.73 MEN1 (0.48) MAOACYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL533641 0.72 TSHR (0.39) RXRARXRBMAOAPTPN5CYP3A4

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 RXRA 572/4885RXRB 1016/4885DRD1 1575/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 RXRA 621/4885RXRB 1008/4885DRD1 1851/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 RXRA 886/4885RXRB 919/4885DRD1 3015/4885

“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.