SCHEMBL534635

SCHEMBL534635

CCCCCCCCCCCCCCCCCCCCCCOc1ccc(C(Cl)c2ccc(OCCCCCCCCCCCCCCCCCCCCCC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.59
SLC2A1 P11166 4/20 0.57
LTA4H P09960 3/20 0.53
TP53 P04637 2/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
PLA2G4B P0C869 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.49

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
SCHEMBL534432 0.95 NR5A1 (0.54) NR5A1SLC2A1LTA4HTP53TSHR
SCHEMBL13303555 0.94 SLC2A1 (0.53) NR5A1SLC2A1LTA4HNPC1RAB9A
SCHEMBL13033909 0.93 NR5A1 (0.53) NR5A1SLC2A1LTA4HTP53TSHR
SCHEMBL13172437 0.85 NR5A1 (0.63) NR5A1SLC2A1LTA4HTP53TSHR
SCHEMBL10943900 0.84 NR5A1 (0.79) NR5A1LTA4HTP53TSHRLMNA
SCHEMBL5473083 0.84 NR5A1 (0.79) NR5A1LTA4HTP53TSHRLMNA
SCHEMBL1573968 0.84 NR5A1 (0.79) NR5A1LTA4HTP53TSHRLMNA
SCHEMBL2829024 0.84 NR5A1 (0.79) NR5A1LTA4HTP53TSHRLMNA
SCHEMBL28373061 0.84 NR5A1 (0.79) NR5A1LTA4HTP53TSHRLMNA
SCHEMBL11095674 0.84 NR5A1 (0.79) NR5A1LTA4HTP53TSHRLMNA

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 NR5A1 2883/4885SLC2A1 4330/4885LTA4H 763/4885
US-20140213761-A1 DIPHENYLMETHANE COMPOUND CCKAR, VIP, CCKBR NR5A1 3226/4885SLC2A1 3858/4885LTA4H 754/4885
US-20160060198-A1 DIPHENYLMETHANE COMPOUND CCKAR, VIP, CCKBR NR5A1 3226/4885SLC2A1 3858/4885LTA4H 754/4885

“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.