SCHEMBL7035101

SCHEMBL7035101

C#Cc1ccc(-c2cc(O)ccc2Oc2ccc(O)cc2-c2ccc(C#C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 2/20 0.36
ESR1 P03372 6/20 0.34
MGAM O43451 3/20 0.33
GAA P10253 3/20 0.33
SI P14410 3/20 0.33
MGAM2 Q2M2H8 3/20 0.33
MMP3 P08254 1/20 0.33
ESR2 Q92731 5/20 0.33
ESRRB O95718 1/20 0.33
ESRRA P11474 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX5 P09917 1/20 0.32
ABL1 P00519 1/20 0.32
ABCB1 P08183 1/20 0.32
BCR P11274 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32

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
SCHEMBL10023983 0.80 PELI1 (0.42) PELI1ESR1GAAMMP3ESR2
SCHEMBL9215292 0.77 ALDH1A1 (0.44) PELI1ESR1ESR2HSD17B10
SCHEMBL10868280 0.76 GRM5 (0.41) CYP1A2CYP1B1
SCHEMBL7038780 0.74 NCOA1 (0.42)
SCHEMBL28674751 0.72 MMP3 (0.58) ESR1MMP3ESR2HSD17B10ALOX5
SCHEMBL7037593 0.72 MMP3 (0.58) ESR1MMP3ESR2HSD17B10ALOX5
SCHEMBL7036704 0.72 FFAR4 (0.33)
SCHEMBL5134382 0.71 CYP1B1 (0.43) ESR1MGAMGAASIMGAM2
SCHEMBL5030587 0.71 HSD17B1 (0.52) PELI1ESR1ESR2HSD17B10ALOX5
SCHEMBL218284 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065117-A1 Modified silicone compound, process of producing the same, and cured object obtained therefrom NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2003-04-03 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-20030065117-A1 Modified silicone compound, process of producing the same, and cured object obtained therefrom ORMDL3, SGMS1, HEATR1 PELI1 2679/4885ESR1 758/4885MGAM 1219/4885

“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.