SCHEMBL17341960

SCHEMBL17341960

CCCc1cccc2cncc(C(=O)CCCCC(C)=O)c12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IAPP P10997 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ FAAH O00519 8/20 0.33
▸ ELANE P08246 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ LTB4R Q15722 1/20 0.32
▸ LTB4R2 Q9NPC1 1/20 0.32
▸ OXER1 Q8TDS5 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ DAGLA Q9Y4D2 5/20 0.32

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
SCHEMBL17341962 0.92 HTT (0.35) IAPPALDH1A1HTTMEN1MAPT
SCHEMBL17345615 0.90 OXER1 (0.41) ALDH1A1MEN1KMT2ALTB4RLTB4R2
SCHEMBL17341979 0.87 ALDH1A1 (0.38) IAPPALDH1A1HTTMEN1MAPT
SCHEMBL17341968 0.83 FAAH (0.35) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL17345609 0.82 OXER1 (0.40) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL17341957 0.82 KDM4E (0.34) HTTFAAHLMNA
SCHEMBL17341966 0.77 ALDH1A1 (0.38) IAPPALDH1A1HTTMEN1MAPT
SCHEMBL17341970 0.77 FAAH (0.37) IAPPALDH1A1HTTMEN1MAPT
SCHEMBL17345606 0.76 KMT2A (0.47) ALDH1A1MEN1KMT2ALTB4RLTB4R2
SCHEMBL17341967 0.75 GABRA1 (0.47) ALDH1A1HTTMEN1MAPTKMT2A

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 IAPP 420/4885ALDH1A1 4615/4885HTT 4429/4885
US-20180029990-A1 COMPOSITION AND METHOD FOR PREVENTION, MITIGATION OR TREATMENT OF AN ENTEROPATHOGENIC BACTERIAL INFECTION FABP2, LRBA, VIP IAPP 420/4885ALDH1A1 4615/4885HTT 4429/4885

“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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