SCHEMBL17817599

SCHEMBL17817599

CCCCCCCCCCCC(=O)NNC(=O)Nc1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.85
MEN1 O00255 3/20 0.85
POLB P06746 1/20 0.85
BLM P54132 1/20 0.85
CTDSP1 Q9GZU7 1/20 0.85
ALDH1A1 P00352 2/20 0.77
CYP2C19 P33261 1/20 0.77
RECQL P46063 1/20 0.77
GAA P10253 1/20 0.77
HDAC3 O15379 3/20 0.63
HDAC1 Q13547 2/20 0.63
HDAC2 Q92769 2/20 0.63
SOAT2 O75908 1/20 0.63
SOAT1 P35610 1/20 0.63
EPHX1 P07099 3/20 0.61
HTT P42858 1/20 0.61
HDAC8 Q9BY41 4/20 0.56
HDAC6 Q9UBN7 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL19500968 0.86 SOAT2 (0.74) KMT2AMEN1POLBBLMCTDSP1
SCHEMBL8743155 0.85 SOAT2 (0.82) POLBALDH1A1HDAC3HDAC1HDAC2
SCHEMBL8743258 0.85 SOAT2 (0.82) POLBALDH1A1HDAC3HDAC1HDAC2
SCHEMBL2138777 0.85 SOAT2 (0.82) POLBALDH1A1HDAC3HDAC1HDAC2
SCHEMBL9388173 0.85 SOAT2 (0.82) POLBALDH1A1HDAC3HDAC1HDAC2
SCHEMBL541399 0.85 SOAT2 (0.82) POLBALDH1A1HDAC3HDAC1HDAC2
SCHEMBL282938 0.85 SOAT2 (0.82) POLBALDH1A1HDAC3HDAC1HDAC2
SCHEMBL8743011 0.85 SOAT2 (0.82) POLBALDH1A1HDAC3HDAC1HDAC2
SCHEMBL8742971 0.85 SOAT2 (0.82) POLBALDH1A1HDAC3HDAC1HDAC2
SCHEMBL8743085 0.85 SOAT2 (0.82) POLBALDH1A1HDAC3HDAC1HDAC2

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 KMT2A 411/4885MEN1 4785/4885POLB 4272/4885

“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.