SCHEMBL5089442

SCHEMBL5089442

Nc1ccc(OC(=O)C=Cc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.71
CYP1B1 Q16678 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.52
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
CYP19A1 P11511 1/20 0.52
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HDAC3 O15379 1/20 0.50
TNKS O95271 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50

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
SCHEMBL6912054 0.93 KMT2A (0.66) KMT2ACYP1B1MAOAMAOBCYP19A1
SCHEMBL30775463 0.91 KMT2A (0.62) KMT2ACYP1B1SMN1; SMN2CYP19A1MAPT
SCHEMBL15364313 0.91 KMT2A (0.62) KMT2ACYP1B1SMN1; SMN2CYP19A1MAPT
SCHEMBL15364345 0.91 KMT2A (0.62) KMT2ACYP1B1SMN1; SMN2CYP19A1MAPT
SCHEMBL15363576 0.91 KMT2A (0.62) KMT2ACYP1B1SMN1; SMN2CYP19A1MAPT
SCHEMBL3229347 0.91 KMT2A (0.62) KMT2ACYP1B1SMN1; SMN2CYP19A1MAPT
SCHEMBL15364341 0.91 KMT2A (0.62) KMT2ACYP1B1SMN1; SMN2CYP19A1MAPT
SCHEMBL16982630 0.91 KMT2A (0.83) KMT2ACYP1B1SMN1; SMN2MAOAMAOB
SCHEMBL15363574 0.88 KMT2A (0.55) KMT2ACYP1B1SMN1; SMN2MAOAMAOB
SCHEMBL30775462 0.88 KMT2A (0.55) KMT2ACYP1B1SMN1; SMN2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335673-B2 2,3-Diphenylpropionic acid derivatives or their salts, medicines or cell adhesion inhibitors containing the same, and their usage KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-02-26 US disclosed
US-20040072878-A1 2,3-Diphenylpropionic acid derivatives or their salts, medicines or cell adhesion inhibitors containing the same, and their usage KAKEN PHARMACEUTICAL CO., LTD. (JP) 2004-04-15 US disclosed
EP-1325903-A1 2,3-DIPHENYLPROPIONIC ACID DERIVATIVES OR THEIR SALTS, MEDICINES OR CELL ADHESION INHIBITORS CONTAINING THE SAME, AND THEIR USAGE Kaken Pharmaceutical Co., Ltd. (JP) 2003-07-09 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 (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-20040072878-A1 2,3-Diphenylpropionic acid derivatives or their salts, medicines or cell adhesion inhibitors containing the same, and their usage VCAM1, ICAM1, PTK2 KMT2A 2949/4885CYP1B1 2609/4885SMN1; SMN2 3919/4885

“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.