SCHEMBL18474288

SCHEMBL18474288

CCCCCN(CCCCC)CCn1c(=O)oc(=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ PGR P06401 1/20 0.45
▸ RORA P35398 1/20 0.45
▸ RORC P51449 1/20 0.45
▸ RORB Q92753 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ TOP2A P11388 1/20 0.44
▸ TP53 P04637 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ G6PD P11413 1/20 0.41
▸ ABCB1 P08183 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL2453991 0.86 PGR (0.55) PGRRORARORCRORBKDM4E
SCHEMBL1061987 0.85 PGR (0.60) PGRRORARORCRORBKDM4E
SCHEMBL5263281 0.82 PGR (0.50) PGRRORARORCRORBKDM4E
SCHEMBL17208787 0.81 TOP2A (0.52) TOP2AALDH1A1HIF1ANPSR1MAPT
SCHEMBL18469659 0.78 SLC6A4 (0.47) SLC6A4SLC6A2HRH1
SCHEMBL11688278 0.76 ALDH1A1 (0.51) PGRRORARORCRORBALDH1A1
SCHEMBL6305077 0.76 ALDH1A1 (0.59) PGRRORARORCRORBKDM4E
SCHEMBL11389425 0.74 ALDH1A1 (0.51) PGRRORARORCRORBTP53
SCHEMBL17208786 0.74 ALDH1A1 (0.51) PGRRORARORCRORBALDH1A1
SCHEMBL20968383 0.72 ALDH1A1 (0.54) ALDH1A1RAB9ANPSR1

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-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2017-02-09 — — 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-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 SLC6A4 2051/4885SLC6A2 1625/4885HRH1 1945/4885

“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.

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