SCHEMBL4808796

SCHEMBL4808796

CCCCP1(=S)CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.32
CYP1A2 P05177 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
SCHEMBL4814214 1.00 ATM (0.32) ATMCYP1A2
SCHEMBL6051741 0.97 ATM (0.33) ATM
SCHEMBL4815791 0.92
SCHEMBL4816172 0.91 TSHR (0.36) ATM
SCHEMBL4812820 0.91 TSHR (0.36) ATM
SCHEMBL4812554 0.91 TSHR (0.36) ATM
SCHEMBL4814401 0.84
SCHEMBL4813132 0.84
SCHEMBL4805701 0.83 TSHR (0.38) ATM
SCHEMBL4810648 0.83 TSHR (0.38) ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7411096-B2 Process for producing optically active phosphorus heterocyclic dimer NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2008-08-12 US disclosed
US-20060211888-A1 2,2'-bis-(1-alkylphosphetanes); a primary alkyl or cycloalkyl phosphine is reacted with 1,3-dichloropropane, in the presence of n-butyllithium, and then reacted with boron trihydride, oxygen, or sulfur, dimerizing, removing the boron trihydride, oxygen, or sulfur; assymetric hydrogenation catalysts NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2006-09-21 US disclosed
EP-1650216-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE DIMER OF PHOSPHORUS HETEROCYCLE NIPPON CHEMICAL INDUSTRIAL COMPANY LIMITED (JP) 2006-04-26 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-20060211888-A1 2,2'-bis-(1-alkylphosphetanes); a primary alkyl or cycloalkyl phosphine is reacted with 1,3-dichloropropane, in the presence of n-butyllithium, and then reacted with boron trihydride, oxygen, or sulfur, dimerizing, removing the boron trihydride, oxygen, or sulfur; assymetric hydrogenation catalysts OSBP2, OXSR1, OCIAD2 ATM 871/4885CYP1A2 1374/4885

“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.