SCHEMBL533781

SCHEMBL533781

CCCCCCCCCCCCCCCCCCCCCCOc1ccc(C(c2ccc(OCCCCCCCCCCCCCCCCCCCCCC)cc2)N(CC)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
LMNA P02545 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
PLA2G4B P0C869 6/20 0.55
POLB P06746 1/20 0.53
RARB P10826 3/20 0.52
PLA2G4A P47712 1/20 0.50
NR5A1 Q13285 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
SCHEMBL15270980 0.78 LMNA (0.66) TP53TSHRLMNAMMP9MMP8
SCHEMBL9191267 0.77 LMNA (0.64) TP53TSHRLMNAMMP9MMP8
SCHEMBL6414796 0.77 LMNA (0.64) TP53TSHRLMNAMMP9MMP8
SCHEMBL9189425 0.77 LMNA (0.64) TP53TSHRLMNAMMP9MMP8
SCHEMBL14599980 0.77 LMNA (0.64) TP53TSHRLMNAMMP9MMP8
SCHEMBL9193732 0.77 LMNA (0.64) TP53TSHRLMNAMMP9MMP8
SCHEMBL9194774 0.77 LMNA (0.64) TP53TSHRLMNAMMP9MMP8
SCHEMBL19415099 0.75 NR5A1 (0.67) TP53TSHRLMNAMMP9MMP8
SCHEMBL9665074 0.75 TP53 (0.78) TP53TSHRLMNAPLA2G4BRARB
SCHEMBL9474072 0.75 MMP9 (0.70) TP53TSHRLMNAMMP9MMP8

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-8722934-B2 Diphenylmethane compound AJINOMOTO CO., INC. (JP) 2014-05-13 US disclosed
EP-2415745-A1 DIPHENYLMETHANE COMPOUND Ajinomoto Co., Inc. (JP) 2012-02-08 EP disclosed
US-20100249374-A1 DIPHENYLMETHANE COMPOUND AJINOMOTO CO., INC. (JP) 2010-09-30 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 (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-20100249374-A1 DIPHENYLMETHANE COMPOUND CCKAR, DNPEP, QPCTL TP53 1289/4885TSHR 2188/4885LMNA 300/4885

“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.