SCHEMBL2968686

SCHEMBL2968686

COC(=O)CCc1cc(C(=O)c2ccc(OC)cc2OC)ccc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
KMT2A Q03164 2/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 4/20 0.51
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PKM P14618 2/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL64208 0.84 MTNR1A (0.61) KMT2AMEN1RAB9AMTNR1AMTNR1B
SCHEMBL9322885 0.82 NPC1 (0.56) NPC1KMT2ALMNAMEN1CYP1A2
SCHEMBL4284195 0.81 FOS (0.64) NPC1TSHRHTTMAPTPKM
SCHEMBL585472 0.79 APLNR (0.56) NPC1KMT2AMEN1PKMRAB9A
SCHEMBL8137315 0.79 NPC1 (0.79) NPC1KMT2ALMNAMEN1CYP1A2
SCHEMBL29414999 0.77 NPC1 (1.00) NPC1KMT2ALMNAMEN1CYP1A2
SCHEMBL5902231 0.77 NPC1 (1.00) NPC1KMT2ALMNAMEN1CYP1A2
SCHEMBL5657588 0.76 NPC1 (0.58) NPC1KMT2ALMNAMEN1CYP1A2
SCHEMBL2954382 0.76 JUN (0.43) NPC1KMT2ALMNAMEN1CYP1A2
SCHEMBL12228745 0.76 NPC1 (0.68) NPC1KMT2ALMNAMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1445249-B1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-07 EP disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
US-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SHUNICHI SHIOZAWA (JP) 2005-05-26 US disclosed
EP-1445249-A1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-08-11 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-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SP1, AP1G1, JUN NPC1 1513/4885KMT2A 1394/4885LMNA 4305/4885

“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.