SCHEMBL797361

SCHEMBL797361

CCCC[Ti](=[SiH2])(CCCC)(c1ccccc1)(c1ccccc1)(C1C(C)=Cc2c(-c3ccccc3)cccc21)C1C(C)=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
HTR1A P08908 2/20 0.31
HTR7 P34969 2/20 0.31
TSHR P16473 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 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
SCHEMBL797291 0.82
SCHEMBL7603023 0.79 PDCD1 (0.33) PDCD1CD274HTR1AHTR7
SCHEMBL797770 0.75 CNR2 (0.33) HTR7
SCHEMBL797414 0.73
SCHEMBL28807858 0.73 BCHE (0.36) PDCD1CD274TSHRBCHEACHE
SCHEMBL27489709 0.71 SOAT1 (0.37) BCHEACHE
SCHEMBL27449235 0.70 BCHE (0.32) PDCD1CD274BCHEACHE
SCHEMBL7625939 0.69 BCHE (0.33) PDCD1CD274TSHRBCHEACHE
SCHEMBL7624920 0.69 BCHE (0.33) PDCD1CD274HTR7TSHRBCHE
Hydrochloric Acid SCHEMBL7186888 0.69 BCHE (0.31) PDCD1CD274BCHEACHE

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
EP-1262469-B1 POLYACENE DERIVATIVES AND PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2012-01-11 EP disclosed
US-7901594-B2 Electroconductivity JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2011-03-08 US disclosed
EP-1219657-B1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2008-03-19 EP disclosed
US-6586554-B1 Polyarylene and method for production thereof JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-07-01 US disclosed
US-20030116755-A1 Polyacene derivatives and production thereof JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-06-26 US disclosed
EP-1262469-A1 POLYACENE DERIVATIVES AND PRODUCTION THEREOF Japan Science and Technology Corporation (JP) 2002-12-04 EP disclosed
EP-1219657-A1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF Japan Science and Technology Corporation (JP) 2002-07-03 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-20030116755-A1 Polyacene derivatives and production thereof CBR1, HVCN1, H1-0 PDCD1 3769/4885CD274 3589/4885HTR1A 441/4885

“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.