SCHEMBL17341968

SCHEMBL17341968

CC(=O)CCCCC(=O)c1cncc2cccc(C)c12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CTNNB1 P35222 2/20 0.33
▸ WNT3A P56704 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL17341957 0.99 KDM4E (0.34) FAAHHTTKDM4ELMNACTNNB1
SCHEMBL17341959 0.92 KDM4E (0.40) KDM4ECTNNB1WNT3AALDH1A1KMT2A
SCHEMBL17341963 0.89 KMT2A (0.40) KDM4EMEN1ALDH1A1KMT2AHPGD
SCHEMBL17345608 0.88 KMT2A (0.40) HTTKDM4ELMNAMEN1ALDH1A1
SCHEMBL17341962 0.85 HTT (0.35) FAAHHTTLMNAMEN1ALDH1A1
SCHEMBL17341972 0.84 CTNNB1 (0.40) KDM4ELMNACTNNB1WNT3AMEN1
SCHEMBL17345607 0.83 KMT2A (0.48) HTTKDM4ELMNACTNNB1WNT3A
SCHEMBL17341960 0.83 IAPP (0.35) FAAHHTTLMNAMEN1ALDH1A1
SCHEMBL19821107 0.83 CTNNB1 (0.41) KDM4ELMNACTNNB1WNT3AMEN1
SCHEMBL17341961 0.75 CTNNB1 (0.45) KDM4ELMNACTNNB1WNT3AMEN1

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
US-20180029990-A1 COMPOSITION AND METHOD FOR PREVENTION, MITIGATION OR TREATMENT OF AN ENTEROPATHOGENIC BACTERIAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-01 — — US disclosed
US-9790186-B2 Composition and method for prevention, mitigation or treatment of an enteropathogenic bacterial infection TRUSTEES OF DARTMOUTH COLLEGE (US) 2017-10-17 — — US disclosed
US-20150361045-A1 COMPOSITION AND METHOD FOR PREVENTION, MITIGATION OR TREATMENT OF AN ENTEROPATHOGENIC BACTERIAL INFECTION TRUSTEES OF DARTMOUTH COLLEGE (US) 2015-12-17 — — 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 (2 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-20150361045-A1 COMPOSITION AND METHOD FOR PREVENTION, MITIGATION OR TREATMENT OF AN ENTEROPATHOGENIC BACTERIAL INFECTION FABP2, LRBA, VIP FAAH 2374/4885HTT 4429/4885KDM4E 4697/4885
US-20180029990-A1 COMPOSITION AND METHOD FOR PREVENTION, MITIGATION OR TREATMENT OF AN ENTEROPATHOGENIC BACTERIAL INFECTION FABP2, LRBA, VIP FAAH 2374/4885HTT 4429/4885KDM4E 4697/4885

“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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