SCHEMBL4805701

SCHEMBL4805701

CCCCCCP1(=S)CCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
THRB P10828 1/20 0.38
DNM1 Q05193 9/20 0.32
ATM Q13315 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC22A1 O15245 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
SCHEMBL4810648 1.00 TSHR (0.38) TSHRTHRBDNM1ATMALDH1A1
SCHEMBL4820135 0.93 TSHR (0.36) TSHRTHRBATM
SCHEMBL4816172 0.93 TSHR (0.36) TSHRTHRBATM
SCHEMBL4812820 0.93 TSHR (0.36) TSHRTHRBATM
SCHEMBL4812554 0.93 TSHR (0.36) TSHRTHRBATM
SCHEMBL4815791 0.90
SCHEMBL6051741 0.85 ATM (0.33) TSHRATMLMNA
SCHEMBL4808796 0.83 ATM (0.32) ATM
SCHEMBL4814214 0.83 ATM (0.32) ATM
SCHEMBL4812988 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1650216-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE DIMER OF PHOSPHORUS HETEROCYCLE NIPPON CHEMICAL IND COMPANY LTD (JP) 2011-12-28 EP disclosed
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
US-20060189818-A1 Novel optically active phosphorus-chiral diphosphetanes, intermediates of the same, and transition metal complexes containing the diphosphetanes as the ligand NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2006-08-24 US disclosed
EP-1650217-A1 NOVEL OPTICALLY ACTIVE PHOSPHORUS-CHIRAL DIPHOSPHETANES, INTERMEDIATES OF THE SAME, AND TRANSITION METAL COMPLEXES CONTAINING THE DIPHOSPHETANES AS THE LIGAND Nippon Chemical Industrial Co., Ltd. (JP) 2006-04-26 EP 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 (2 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 TSHR 1687/4885THRB 1015/4885DNM1 494/4885
US-20060189818-A1 Novel optically active phosphorus-chiral diphosphetanes, intermediates of the same, and transition metal complexes containing the diphosphetanes as the ligand PHOSPHO1, PLCG1, PLCB1 TSHR 4032/4885THRB 4151/4885DNM1 196/4885

“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.