SCHEMBL17341961

SCHEMBL17341961

CC(=O)CCC(=O)c1cccc2cccc(C)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 8/20 0.45
▸ WNT3A P56704 8/20 0.45
▸ KDM4E B2RXH2 7/20 0.45
▸ HPGD P15428 7/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.43
▸ HSD17B10 Q99714 5/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ POLB P06746 4/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ MEN1 O00255 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ GMNN O75496 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ BLM P54132 2/20 0.40
▸ PMP22 Q01453 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL19821107 0.92 CTNNB1 (0.41) CTNNB1WNT3AKDM4EHPGDSMN1; SMN2
SCHEMBL17341972 0.90 CTNNB1 (0.40) CTNNB1WNT3AKDM4EHPGDSMN1; SMN2
SCHEMBL17345610 0.87 KMT2A (0.58) CTNNB1WNT3AKDM4EHPGDALDH1A1
SCHEMBL17341959 0.83 KDM4E (0.40) CTNNB1WNT3AKDM4EHPGDSMN1; SMN2
SCHEMBL17341965 0.82 KMT2A (0.49) CTNNB1WNT3AKDM4EHPGDALDH1A1
SCHEMBL17341981 0.81 KMT2A (0.48) CTNNB1WNT3AKDM4EHPGDALDH1A1
SCHEMBL3027929 0.80 CTNNB1 (0.60) CTNNB1WNT3AKDM4EHPGDSMN1; SMN2
SCHEMBL23259556 0.78 BRPF1 (0.44) KDM4EHPGDSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL17341958 0.77 CTNNB1 (0.43) CTNNB1WNT3AKDM4EHPGDSMN1; SMN2
SCHEMBL17341957 0.76 KDM4E (0.34) CTNNB1WNT3AKDM4EHPGDSMN1; SMN2

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 CTNNB1 2003/4885WNT3A 1157/4885KDM4E 4697/4885
US-20180029990-A1 COMPOSITION AND METHOD FOR PREVENTION, MITIGATION OR TREATMENT OF AN ENTEROPATHOGENIC BACTERIAL INFECTION FABP2, LRBA, VIP CTNNB1 2003/4885WNT3A 1157/4885KDM4E 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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