SCHEMBL17817065

SCHEMBL17817065

CCCCCCCCCCCCCCCCCCOc1c(C)ccc([N+](=O)[O-])c1O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.50
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
PLA2G4B P0C869 1/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR5A1 Q13285 1/20 0.40
TXNRD1 Q16881 3/20 0.39
GSR P00390 1/20 0.39
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR35 Q9HC97 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
SCHEMBL17817211 0.81 ESR1 (0.56) ESR1THRATHRBPLA2G4BLMNA
SCHEMBL17817616 0.81 ESR1 (0.47) ESR1THRATHRBPLA2G4BLMNA
SCHEMBL11748548 0.80 MAPT (0.46) LMNAPOLBMAPTSMN1; SMN2MAPK1
SCHEMBL27591376 0.78 ALDH1A1 (0.43) ESR1THRATHRBMAPTSMN1; SMN2
SCHEMBL17817064 0.76 L3MBTL1 (0.43) ESR1THRATHRBPLA2G4BLMNA
SCHEMBL9699807 0.76 ESR1 (0.48) ESR1THRATHRBPLA2G4BLMNA
SCHEMBL11763892 0.75 MAPT (0.44) ESR1THRATHRBPLA2G4BLMNA
SCHEMBL18103308 0.75 NR5A1 (0.48) ESR1THRATHRBPLA2G4BNR5A1
SCHEMBL862289 0.75 NR5A1 (0.48) ESR1THRATHRBPLA2G4BNR5A1
SCHEMBL9436219 0.75 ESR1 (0.44) ESR1THRATHRBPLA2G4BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 ESR1 1835/4885THRA 2233/4885THRB 3055/4885

“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.