SCHEMBL4827768

SCHEMBL4827768

COC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.65
MMP12 P39900 2/20 0.62
PTPN1 P18031 2/20 0.56
TDP1 Q9NUW8 1/20 0.55
FFAR4 Q5NUL3 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53
HDAC2 Q92769 2/20 0.53
CA12 O43570 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
NAAA Q02083 1/20 0.51
HDAC1 Q13547 1/20 0.51
LTB4R Q15722 1/20 0.51
CNR2 P34972 1/20 0.50

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
SCHEMBL480043 1.00 FFAR1 (0.65) FFAR1MMP12PTPN1TDP1FFAR4
Methyl 3-Phenylpropanoate SCHEMBL9424369 0.95 TDP1 (0.61) FFAR1MMP12TDP1HRH3HDAC2
SCHEMBL6308951 0.92 FFAR1 (0.56) FFAR1MMP12PTPN1TDP1FFAR4
SCHEMBL12646541 0.92 PTPN1 (0.55) FFAR1MMP12PTPN1TDP1FFAR4
SCHEMBL14340330 0.91 FFAR1 (0.54) FFAR1MMP12PTPN1TDP1FFAR4
SCHEMBL13943204 0.91 FFAR1 (0.54) FFAR1MMP12PTPN1TDP1FFAR4
SCHEMBL6308932 0.91 FFAR1 (0.54) FFAR1MMP12PTPN1TDP1FFAR4
SCHEMBL14732623 0.91 FFAR1 (0.54) FFAR1MMP12PTPN1TDP1FFAR4
SCHEMBL14733317 0.89 FFAR1 (0.53) FFAR1MMP12PTPN1TDP1FFAR4
SCHEMBL11887471 0.89 FFAR1 (0.53) FFAR1MMP12PTPN1TDP1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO FFAR1 3667/4885MMP12 2838/4885PTPN1 454/4885

“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.