SCHEMBL3112448

SCHEMBL3112448

Cc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.59
RXRB P28702 1/20 0.59
RXRG P48443 1/20 0.59
MCL1 Q07820 2/20 0.58
FOLH1 Q04609 1/20 0.56
PTGER1 P34995 2/20 0.56
FFAR4 Q5NUL3 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.51
MAPT P10636 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
SMPD1 P17405 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL7825765 0.94 CTSV (0.58) RXRARXRBRXRGMCL1FOLH1
SCHEMBL591616 0.88 FOLH1 (0.55) RXRARXRBRXRGMCL1FOLH1
SCHEMBL12659905 0.88 MCL1 (0.60) RXRARXRBRXRGMCL1FOLH1
SCHEMBL4437175 0.88 RXRA (0.52) RXRARXRBRXRGMCL1FOLH1
SCHEMBL16077693 0.87 RXRA (0.52) RXRARXRBRXRGMCL1FOLH1
SCHEMBL24983814 0.86 ALDH1A1 (0.54) RXRARXRBRXRGMCL1FFAR4
SCHEMBL12941391 0.86 RXRA (0.51) RXRARXRBRXRGMCL1FOLH1
SCHEMBL12659913 0.86 RXRA (0.58) RXRARXRBRXRGMCL1FOLH1
SCHEMBL10256205 0.86 MCL1 (0.54) RXRARXRBRXRGMCL1FOLH1
SCHEMBL30892473 0.85 FOLH1 (0.65) MCL1FOLH1PTGER1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108101870-B Preparation method of active ingredient for selectively treating glaucoma and related salt thereof 盐城师范学院 2020-03-06 CN disclosed
US-20100179218-A1 OCULOSELECTIVE DRUGS AND PRODRUGS QLT INC. (CA) 2010-07-15 US disclosed
US-20100179218-A1 OCULOSELECTIVE DRUGS AND PRODRUGS QLT INC. (CA) 2010-07-15 US disclosed
US-7678829-B2 Oculoselective drugs and prodrugs QLT INC. (CA) 2010-03-16 US disclosed
US-7678829-B2 Oculoselective drugs and prodrugs QLT INC. (CA) 2010-03-16 US disclosed
US-20070254950-A1 Oculoselective Drugs and Prodrugs OTHERA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254950-A1 Oculoselective Drugs and Prodrugs OTHERA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
EP-1750693-A1 OCULOSELECTIVE DRUGS AND PRODRUGS Othera Pharmaceuticals, Inc. (US) 2007-02-14 EP disclosed
US-20060019955-A1 Oculoselective drugs and prodrugs OTHERA PHARMACEUTICALS, INC. (US) 2006-01-26 US disclosed
WO-2005115375-A1 OCULOSELECTIVE DRUGS AND PRODRUGS OTHERA PHARMACEUTICALS, INC. (US) 2005-12-08 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 (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-20060019955-A1 Oculoselective drugs and prodrugs HCAR3, CNKSR1, HCRTR1 RXRA 90/4885RXRB 45/4885RXRG 81/4885
US-20100179218-A1 OCULOSELECTIVE DRUGS AND PRODRUGS ALDH1A2, CYP2D6, PDE6C RXRA 431/4885RXRB 235/4885RXRG 236/4885
US-20070254950-A1 Oculoselective Drugs and Prodrugs CNKSR1, HCAR3, HCRTR1 RXRA 73/4885RXRB 31/4885RXRG 66/4885

“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.