SCHEMBL17341959

SCHEMBL17341959

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CTNNB1 P35222 4/20 0.38
▸ WNT3A P56704 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ STK33 Q9BYT3 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 0.93 KDM4E (0.34) KDM4EHPGDSMN1; SMN2CTNNB1WNT3A
SCHEMBL17341968 0.92 FAAH (0.35) KDM4EHPGDSMN1; SMN2CTNNB1WNT3A
SCHEMBL17345607 0.89 KMT2A (0.48) KDM4EHPGDCTNNB1WNT3AALDH1A1
SCHEMBL17345608 0.84 KMT2A (0.40) KDM4EHPGDALDH1A1CYP1A2GLA
SCHEMBL17341963 0.83 KMT2A (0.40) KDM4EHPGDALDH1A1CYP1A2GLA
SCHEMBL17341961 0.83 CTNNB1 (0.45) KDM4EHPGDSMN1; SMN2CTNNB1WNT3A
SCHEMBL17341962 0.77 HTT (0.35) SMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL19821107 0.76 CTNNB1 (0.41) KDM4EHPGDSMN1; SMN2CTNNB1WNT3A
SCHEMBL17341960 0.75 IAPP (0.35) ALDH1A1KMT2A
SCHEMBL17341972 0.75 CTNNB1 (0.40) KDM4EHPGDSMN1; SMN2CTNNB1WNT3A

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 KDM4E 4697/4885HPGD 1026/4885SMN1; SMN2 4679/4885
US-20180029990-A1 COMPOSITION AND METHOD FOR PREVENTION, MITIGATION OR TREATMENT OF AN ENTEROPATHOGENIC BACTERIAL INFECTION FABP2, LRBA, VIP KDM4E 4697/4885HPGD 1026/4885SMN1; SMN2 4679/4885

“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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