SCHEMBL7075341

SCHEMBL7075341

C(C=Cc1ccccc1)=Cc1ccccc1.CC(C)P(=NC1=CC=CC1)(C(C)C)C(C)C.[Ti]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
CYP3A4 P08684 1/20 0.34
TRPA1 O75762 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR2A P28223 3/20 0.31
NFE2L2 Q16236 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL7068342 0.93 MAOB (0.33) MAOBCYP3A4TRPA1ALDH1A1LMNA
SCHEMBL7073901 0.87 MAOB (0.36) MAOBCYP3A4ALDH1A1LMNAHTR2A
SCHEMBL7070302 0.84 MAOB (0.34) MAOBCYP3A4LMNAHTR2A
SCHEMBL7073402 0.84 MAOB (0.44) MAOBCYP3A4TRPA1ALDH1A1LMNA
SCHEMBL7072597 0.82 TDP1 (0.34) MAOBLMNAHDAC3
SCHEMBL7075627 0.82 MAOB (0.37) MAOBCYP3A4TRPA1ALDH1A1LMNA
SCHEMBL7070194 0.81 MAOB (0.41) MAOBCYP3A4TRPA1ALDH1A1LMNA
SCHEMBL7072714 0.81
SCHEMBL7074498 0.81 MEN1 (0.33) MAOBALDH1A1LMNA
SCHEMBL7073088 0.80 MAOB (0.35) MAOBCYP3A4ALDH1A1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030109730-A1 Transition metal compound, addition polymerization catalyst component, addition polymerization catalyst and process for production of olefin polymer NABIKA MASAAKI (JP) 2003-06-12 US disclosed
US-6528671-B1 Such as cyclopentadienyl-trimethylphosphineimine-1,4-di-phenyl butandiene titanium complex; copolymerization of ethylene with other alpha-olefins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-04 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-20030109730-A1 Transition metal compound, addition polymerization catalyst component, addition polymerization catalyst and process for production of olefin polymer ARL1, AP2M1, AP1M1 MAOB 1280/4885CYP3A4 1024/4885TRPA1 1242/4885

“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.