SCHEMBL4955219

SCHEMBL4955219

CC(C)(C)C(c1ccc(CCC(=O)O)cc1)(C(C)(C)C)P(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.52
EPHX2 P34913 1/20 0.52
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
FFAR1 O14842 9/20 0.47
KEAP1 Q14145 1/20 0.46
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FFAR4 Q5NUL3 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL846131 0.78 NR1H4 (0.71) NR1H4EPHX2RXRARXRBRXRG
SCHEMBL330067 0.78 PTPN1 (0.70) FFAR1KEAP1PTPN2PTPN1PTPN6
SCHEMBL7407541 0.76 RXRA (0.58) NR1H4EPHX2RXRARXRBRXRG
SCHEMBL823234 0.75 PTPN1 (0.53) NR1H4EPHX2RXRARXRBRXRG
SCHEMBL861913 0.73 RXRA (0.55) NR1H4EPHX2RXRARXRBRXRG
SCHEMBL69746 0.73 FFAR1 (0.81) FFAR1KEAP1LMNAL3MBTL1FFAR4
SCHEMBL23582760 0.72 RXRA (0.58) NR1H4EPHX2RXRARXRBRXRG
SCHEMBL22322397 0.72 RXRA (0.54) NR1H4EPHX2RXRARXRBRXRG
SCHEMBL25411987 0.72 KDM4E (0.48) LMNAALDH1A1
Hydrochloric Acid SCHEMBL25264643 0.71 FFAR1 (0.77) FFAR1KEAP1LMNAL3MBTL1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425537-B2 SH2 domain binding inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-09-16 US disclosed
US-20060167222-A1 Sh2 domain binding inhibitors GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2006-07-27 US disclosed
US-6977241-B2 SH2 domain binding inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2005-12-20 US disclosed
US-20040048788-A1 Sh2 domain binding inhibitors DEPARTMENT OF HEALTH AND HUMAN SERVICES, UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, OF THE 2004-03-11 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 (2 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-20040048788-A1 Sh2 domain binding inhibitors ACP1, PHLPP1, SORBS1 NR1H4 1371/4885EPHX2 2552/4885RXRA 4274/4885
US-20060167222-A1 Sh2 domain binding inhibitors ACP1, HCLS1, LASP1 NR1H4 2973/4885EPHX2 2991/4885RXRA 4297/4885

“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.