SCHEMBL4690637

SCHEMBL4690637

C/C(=C\CBr)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
KDM1A O60341 1/20 0.35
PTPN1 P18031 1/20 0.34
GSK3B P49841 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4691822 1.00 CYP3A4 (0.43) CYP3A4TDP1ESR1ESR2KDM1A
SCHEMBL3839739 0.89 PTPN1 (0.41) KDM1APTPN1GSK3BMTNR1AMTNR1B
SCHEMBL3839743 0.89 PTPN1 (0.41) KDM1APTPN1GSK3BMTNR1AMTNR1B
SCHEMBL10457458 0.83 CYP3A4 (0.48) CYP3A4TDP1ESR1ESR2MTNR1A
SCHEMBL4693652 0.77 CYP3A4 (0.41) CYP3A4TDP1ESR1ESR2
SCHEMBL4693559 0.75 CYP3A4 (0.39) CYP3A4TDP1ESR1ESR2
SCHEMBL10991192 0.73 TBXAS1 (0.40) KDM1APTPN1GSK3BMTNR1AMTNR1B
SCHEMBL10991197 0.73 TBXAS1 (0.40) KDM1APTPN1GSK3BMTNR1AMTNR1B
SCHEMBL30705332 0.72 KDM1A (0.44) KDM1AMTNR1AMTNR1BCYP1A2CYP2D6
Bromoethane SCHEMBL43961 0.71 TDP1 (0.67) CYP3A4TDP1ESR1ESR2

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
EP-1603874-B1 G-LACTAM DERIVATIVES AS PROSTAGLANDIN AGONISTS SERONO LAB (CH) 2008-05-07 EP disclosed
US-7276531-B2 G-lactam derivatives as prostaglandin agonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-10-02 US disclosed
US-20060194865-A1 G-lactam derivatives as prostaglandin agonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2006-08-31 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-20060194865-A1 G-lactam derivatives as prostaglandin agonists PTGIS, PTGIR, PTGES CYP3A4 481/4885TDP1 3710/4885ESR1 315/4885

“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.