SCHEMBL16645345

SCHEMBL16645345

CCCCOc1cc(C(=O)O)cc(C)c1OCCCC

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.50
RARB P10826 1/20 0.48
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
WDR5 P61964 1/20 0.46
PLA2G4B P0C869 2/20 0.45
ESR1 P03372 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
PTPN11 Q06124 1/20 0.44

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
SCHEMBL4141214 0.94 PLA2G2A (0.59) PLA2G2ARARBTHRATHRBTP53
SCHEMBL1749419 0.90 THRA (0.56) PLA2G2ARARBTHRATHRBTP53
SCHEMBL7995915 0.90 PLA2G2A (0.56) PLA2G2ARARBTHRATHRBTP53
SCHEMBL2307486 0.85 PLA2G2A (0.56) PLA2G2ATHRATHRBPLA2G4B
SCHEMBL2358713 0.84 PLA2G2A (0.66) PLA2G2ARARBTHRATHRBTP53
SCHEMBL1200906 0.84 PLA2G2A (0.66) PLA2G2ARARBTP53TSHRPLA2G4B
SCHEMBL1201538 0.84 PLA2G2A (0.66) PLA2G2ARARBTP53TSHRPLA2G4B
SCHEMBL1200970 0.84 PLA2G2A (0.66) PLA2G2ARARBTP53TSHRPLA2G4B
SCHEMBL1108059 0.84 PLA2G2A (0.66) PLA2G2ARARBTP53TSHRPLA2G4B
SCHEMBL1201453 0.84 PLA2G2A (0.66) PLA2G2ARARBTP53TSHRPLA2G4B

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-20150105337-A1 ENTEROBACTIN CONJUGATES AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-16 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-20150105337-A1 ENTEROBACTIN CONJUGATES AND USES THEREOF BTD, VIP, SLC10A2 PLA2G2A 4650/4885RARB 2716/4885THRA 2702/4885

“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.