SCHEMBL17341966

SCHEMBL17341966

CCc1cccc2cccc(C(=O)CCCCC(C)=O)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ LMNA P02545 3/20 0.38
▸ IAPP P10997 1/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ HPGD P15428 4/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ POLB P06746 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ GMNN O75496 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ BLM P54132 2/20 0.37
▸ PMP22 Q01453 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ CMKLR1 Q99788 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ GLA P06280 1/20 0.37

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
SCHEMBL17341979 0.90 ALDH1A1 (0.38) ALDH1A1LMNAIAPPKMT2AKDM4E
SCHEMBL17345582 0.88 KMT2A (0.47) ALDH1A1LMNAKMT2AKDM4EHPGD
SCHEMBL17341962 0.85 HTT (0.35) ALDH1A1LMNAIAPPKMT2AMEN1
SCHEMBL17341972 0.83 CTNNB1 (0.40) ALDH1A1LMNAKMT2AKDM4EHPGD
SCHEMBL19821107 0.81 CTNNB1 (0.41) ALDH1A1LMNAKMT2AKDM4EHPGD
SCHEMBL17341977 0.79 FAAH (0.37) ALDH1A1IAPPKMT2AMEN1MAPT
SCHEMBL17345606 0.78 KMT2A (0.47) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL17341974 0.77 GABRA1 (0.47) ALDH1A1LMNAKMT2AKDM4EMEN1
SCHEMBL17341960 0.77 IAPP (0.35) ALDH1A1LMNAIAPPKMT2AMEN1
SCHEMBL5036714 0.74 GABRA1 (0.42) ALDH1A1KMT2AKDM4EHPGDMEN1

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 ALDH1A1 4615/4885LMNA 1987/4885IAPP 420/4885
US-20180029990-A1 COMPOSITION AND METHOD FOR PREVENTION, MITIGATION OR TREATMENT OF AN ENTEROPATHOGENIC BACTERIAL INFECTION FABP2, LRBA, VIP ALDH1A1 4615/4885LMNA 1987/4885IAPP 420/4885

“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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