SCHEMBL533827

SCHEMBL533827

CCCCCCCCCCCCCCCCCCCCCCOc1ccc(C(O)(c2ccccc2)c2ccc(OCCCCCCCCCCCCCCCCCCCCCC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.60
NR5A1 Q13285 1/20 0.57
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
PLA2G4B P0C869 1/20 0.54
RARB P10826 3/20 0.51
FAAH O00519 6/20 0.51
PLK1 P53350 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 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
SCHEMBL9304869 1.00 LTA4H (0.60) LTA4HNR5A1TP53TSHRPLA2G4B
SCHEMBL18302086 1.00 LTA4H (0.60) LTA4HNR5A1TP53TSHRPLA2G4B
SCHEMBL6705352 0.94 LTA4H (0.54) LTA4HNR5A1TP53TSHRPLA2G4B
SCHEMBL18302066 0.87 NR5A1 (0.57) LTA4HNR5A1TP53TSHRPLA2G4B
SCHEMBL17241411 0.87 LTA4H (0.64) LTA4HNR5A1TP53TSHRPLA2G4B
SCHEMBL17247317 0.87 LTA4H (0.64) LTA4HNR5A1TP53TSHRPLA2G4B
SCHEMBL17241274 0.87 LTA4H (0.64) LTA4HNR5A1TP53TSHRPLA2G4B
SCHEMBL13940046 0.85 SLC2A1 (0.54) LTA4HTP53TSHRMEN1KMT2A
SCHEMBL17241354 0.85 LTA4H (0.66) LTA4HNR5A1TP53TSHRPLA2G4B
SCHEMBL9304906 0.84 LTA4H (0.60) LTA4HNR5A1TP53TSHRPLA2G4B

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
US-9670121-B2 Diphenylmethane compound AJINOMOTO CO., INC. (JP) 2017-06-06 US disclosed
US-20160060198-A1 DIPHENYLMETHANE COMPOUND AJINOMOTO CO., INC. (JP) 2016-03-03 US disclosed
US-9169187-B2 Method of making peptides using diphenylmethane compound AJINOMOTO CO., INC. (JP) 2015-10-27 US disclosed
US-20140213761-A1 DIPHENYLMETHANE COMPOUND AJINOMOTO CO., INC (JP) 2014-07-31 US disclosed
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 (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-20100249374-A1 DIPHENYLMETHANE COMPOUND CCKAR, DNPEP, QPCTL LTA4H 763/4885NR5A1 2883/4885TP53 1289/4885
US-20140213761-A1 DIPHENYLMETHANE COMPOUND CCKAR, VIP, CCKBR LTA4H 754/4885NR5A1 3226/4885TP53 2202/4885
US-20160060198-A1 DIPHENYLMETHANE COMPOUND CCKAR, VIP, CCKBR LTA4H 754/4885NR5A1 3226/4885TP53 2202/4885

“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.