SCHEMBL4369867

SCHEMBL4369867

O=C(O)c1ccc(-c2ccccc2)c(CO[N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
EGFR P00533 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TTR P02766 1/20 0.40
CASP6 P55212 1/20 0.40
PTPRC P08575 2/20 0.39
TP53 P04637 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
KMO O15229 1/20 0.38
HCAR3 P49019 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL27736080 0.80 EGFR (0.53) RXRARXRBRXRGEGFRALDH1A1
SCHEMBL3588665 0.77 TTR (0.50) RXRARXRBRXRGEGFRALDH1A1
SCHEMBL2635961 0.76 BCL2 (0.50) RXRARXRBEGFRALDH1A1TTR
SCHEMBL4368156 0.75 FOLH1 (0.58) RXRARXRBRXRGPTGDR2TMEM97
SCHEMBL2960866 0.74 TP53 (0.50) ALDH1A1TP53PTGS2
SCHEMBL27650074 0.74 TTR (0.47) RXRARXRBRXRGEGFRALDH1A1
SCHEMBL6310172 0.74 TTR (0.47) RXRARXRBRXRGEGFRALDH1A1
SCHEMBL99918 0.73 CASP6 (0.64) ALDH1A1CASP6HCAR3
SCHEMBL28087917 0.72 PTPN1 (0.44) RXRARXRBRXRGPTGDR2TMEM97
SCHEMBL16599401 0.72 PTGS2 (0.45) ALDH1A1TTRHCAR3PTGS2

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-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US claimed
US-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 US claimed
US-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
US-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 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-20070021427-A1 Novel tricyclic derivatives and their use NFATC1, IL2, CCL2 RXRA 4339/4885RXRB 3879/4885RXRG 4343/4885

“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.