SCHEMBL3995545

SCHEMBL3995545

O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.58
PTPN2 P17706 2/20 0.58
PTPN6 P29350 2/20 0.58
FOLH1 Q04609 1/20 0.56
RXRA P19793 2/20 0.56
RXRB P28702 2/20 0.56
RXRG P48443 2/20 0.56
MCL1 Q07820 2/20 0.54
SYK P43405 1/20 0.54
KIFC1 Q9BW19 1/20 0.53
ALOX5 P09917 1/20 0.53
PSEN1 P49768 1/20 0.53
MGLL Q99685 1/20 0.53
MRGPRX4 Q96LA9 3/20 0.53
LRRK2 Q5S007 3/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PPARD Q03181 1/20 0.51

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
SCHEMBL3991789 0.91 PTPN1 (0.58) PTPN1PTPN2PTPN6FOLH1RXRA
SCHEMBL23226557 0.90 PTPN1 (0.61) PTPN1PTPN2PTPN6RXRARXRB
SCHEMBL4200632 0.89 LRRK2 (0.63) FOLH1RXRARXRBRXRGMRGPRX4
SCHEMBL11768921 0.88 LRRK2 (0.61) FOLH1RXRARXRBRXRGMRGPRX4
SCHEMBL1316826 0.84 LRRK2 (0.67) FOLH1MCL1SYKMRGPRX4LRRK2
SCHEMBL2451483 0.82 RXRA (0.58) PTPN1PTPN2PTPN6FOLH1RXRA
SCHEMBL8243758 0.82 LRRK2 (0.58) PTPN1PTPN2PTPN6FOLH1RXRA
SCHEMBL3998568 0.82 FOLH1 (0.59) FOLH1MCL1SYKMRGPRX4LRRK2
SCHEMBL28544263 0.81 RXRA (0.60) PTPN1PTPN2PTPN6FOLH1RXRA
SCHEMBL3995517 0.81 RXRA (0.60) PTPN1PTPN2PTPN6RXRARXRB

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-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 US disclosed
US-20050059705-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-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 PTPN1 1846/4885PTPN2 1843/4885PTPN6 1970/4885

“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.