SCHEMBL3394776

SCHEMBL3394776

CCCCP(c1ccccc1)c1ccccc1.Cl[Ni]Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 2/20 0.34
LTA4H P09960 2/20 0.33
PCSK9 Q8NBP7 1/20 0.33
PTGS2 P35354 1/20 0.32
CYP3A4 P08684 1/20 0.32
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL1248411 1.00 TDP1 (0.34) TDP1TSHRLTA4HPCSK9PTGS2
SCHEMBL49617 0.92 TDP1 (0.38) TDP1TSHRLTA4HPCSK9PTGS2
SCHEMBL6281632 0.90 TDP1 (0.35) TDP1TSHRLTA4HPCSK9PTGS2
SCHEMBL28811735 0.90 TDP1 (0.35) TDP1TSHRLTA4HPCSK9PTGS2
SCHEMBL9414101 0.90 TDP1 (0.37) TDP1TSHRLTA4HPCSK9PTGS2
SCHEMBL10585317 0.90 TDP1 (0.37) TDP1TSHRLTA4HPCSK9PTGS2
Hydrochloric Acid SCHEMBL28497176 0.90 TDP1 (0.37) TDP1TSHRLTA4HPCSK9PTGS2
Hydrochloric Acid SCHEMBL28975804 0.90 TDP1 (0.37) TDP1TSHRLTA4HPCSK9PTGS2
Bromide SCHEMBL1577209 0.90 TDP1 (0.37) TDP1TSHRLTA4HPCSK9PTGS2
SCHEMBL30514704 0.90 TDP1 (0.37) TDP1TSHRLTA4HPCSK9PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947696-A Method for synthesizing adiponitrile by in-situ catalysis 刘凯凯 2023-10-27 CN claimed
CN-112079865-B Phosphine nitrogen ligand with multiple chiral centers and synthetic method and application thereof 中国科学院上海有机化学研究所 2022-03-01 CN claimed
CN-112079865-A Phosphine nitrogen ligand with multiple chiral centers and synthetic method and application thereof 中国科学院上海有机化学研究所 2020-12-15 CN claimed
CN-109320559-B Nickel-palladium metal complex, preparation method and application thereof, product and application thereof 东华大学 2020-10-30 CN claimed
CN-111087278-A Ring-belt arene compound and preparation method and application thereof 清华大学 2020-05-01 CN claimed
CN-116947696-A Method for synthesizing adiponitrile by in-situ catalysis 刘凯凯 2023-10-27 CN disclosed
CN-112079865-B Phosphine nitrogen ligand with multiple chiral centers and synthetic method and application thereof 中国科学院上海有机化学研究所 2022-03-01 CN disclosed
CN-112079865-A Phosphine nitrogen ligand with multiple chiral centers and synthetic method and application thereof 中国科学院上海有机化学研究所 2020-12-15 CN disclosed
CN-109320559-B Nickel-palladium metal complex, preparation method and application thereof, product and application thereof 东华大学 2020-10-30 CN disclosed
CN-111087278-A Ring-belt arene compound and preparation method and application thereof 清华大学 2020-05-01 CN disclosed
CN-101910188-B Process for producing optically active amines SUMITOMO CHEMICAL CO 2013-05-08 CN disclosed
EP-2246356-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINES SUMITOMO CHEMICAL CO (JP) 2013-04-03 EP disclosed
US-20110054171-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-03 US disclosed
CN-101910188-A Process for producing optically active amines SUMITOMO CHEMICAL CO 2010-12-08 CN disclosed
EP-2246356-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINES Sumitomo Chemical Company, Limited (JP) 2010-11-03 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-20110054171-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINES TYR, ARSA, ODC1 TDP1 2919/4885TSHR 3018/4885LTA4H 2784/4885

“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.