SCHEMBL5568418

SCHEMBL5568418

C=CCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 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
Vinyl Chloride SCHEMBL7901044 0.82 CYP3A4 (0.67) CYP3A4TDP1ESR1ESR2KDM4E
Methylene Chloride SCHEMBL958149 0.82 CYP3A4 (0.75) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL1652820 0.81 TDP1 (0.57) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL28392639 0.81 CYP3A4 (0.57) CYP3A4TDP1ESR1ESR2KDM4E
Allylamine SCHEMBL29191439 0.81 CYP3A4 (0.57) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL10739432 0.81 TDP1 (0.57) CYP3A4TDP1ESR1ESR2KDM4E
Vinyl Chloride SCHEMBL7604262 0.80 CYP3A4 (0.63) CYP3A4TDP1ESR1ESR2KDM4E
Bromide SCHEMBL28986930 0.79 CYP3A4 (0.55) CYP3A4TDP1ESR1ESR2KDM4E
Bromide SCHEMBL28395471 0.79 CYP3A4 (0.55) CYP3A4TDP1ESR1ESR2KDM4E
Iodide SCHEMBL28394575 0.79 CYP3A4 (0.55) CYP3A4TDP1ESR1ESR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109593250-A A kind of pearl cotton and preparation method thereof for low frequency electromagnetic physiotherapy cushion 广州三得医疗科技有限公司 2019-04-09 CN claimed
CN-117624455-A Emulsion type acid thickener and preparation method thereof 东营施普瑞石油工程技术有限公司 2024-03-01 CN disclosed
CN-109593250-A A kind of pearl cotton and preparation method thereof for low frequency electromagnetic physiotherapy cushion 广州三得医疗科技有限公司 2019-04-09 CN disclosed
CN-108837845-A A kind of basic catalyst and preparation method and application of anti-hydrogen chloride 浙江工业大学 2018-11-20 CN disclosed
US-20070142657-A1 Process for the preparation of aliphatic primary alcohols and intermediates in such process DSM IP ASSETS B.V. (NL) 2007-06-21 US disclosed
EP-1685089-A1 PROCESS FOR THE PREPARATION OF ALIPHATIC PRIMARY ALCOHOLS AND INTERMEDIATES IN SUCH PROCESS DSM IP Assets B.V. (NL) 2006-08-02 EP disclosed
WO-2006042835-A1 PROCESS FOR THE PREPARATION OF ALIPHATIC PRIMARY ALCOHOLS AND RELATED INTERMEDIATES IN SUCH PROCESS DSM IP ASSETS B.V. (NL) 2006-04-27 WO disclosed
WO-2005047221-A1 PROCESS FOR THE PREPARATION OF ALIPHATIC PRIMARY ALCOHOLS AND INTERMEDIATES IN SUCH PROCESS DSM IP ASSETS B.V. (NL) 2005-05-26 WO disclosed
US-5233106-A PROCESS FOR THE HYDROGENATION OF CHLOROMETHANES WACKER-CHEMIE GMBH (DE) 1993-08-03 US disclosed
US-3997705-A Method of coagulating a fluoro-elastomer from an aqueous dispersion thereof DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) 1976-12-14 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-20070142657-A1 Process for the preparation of aliphatic primary alcohols and intermediates in such process CYP2E1, MSMO1, ADH1C CYP3A4 225/4885TDP1 4711/4885ESR1 392/4885

“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.