SCHEMBL17341967

SCHEMBL17341967

CCCc1cccc2[nH]cc(C(=O)CCCCC(C)=O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 6/20 0.47
▸ GABRB2 P47870 6/20 0.47
▸ MTNR1A P48039 2/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ CTNNB1 P35222 2/20 0.38
▸ WNT3A P56704 2/20 0.38
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ DNMT1 P26358 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ TDP1 Q9NUW8 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
SCHEMBL17341974 0.91 GABRA1 (0.47) GABRA1GABRB2MTNR1AMTNR1BCTNNB1
SCHEMBL17345613 0.90 GABRA1 (0.47) GABRA1GABRB2MTNR1ACTNNB1WNT3A
SCHEMBL17341969 0.82 CTNNB1 (0.50) GABRA1GABRB2MTNR1AMTNR1BCTNNB1
SCHEMBL17345611 0.81 ADAM17 (0.49) GABRA1GABRB2CTNNB1WNT3AGAA
SCHEMBL17341979 0.79 ALDH1A1 (0.38) MAPTKDM4EMEN1ALDH1A1POLB
SCHEMBL17341960 0.75 IAPP (0.35) MTNR1AMTNR1BMAPTMEN1ALDH1A1
SCHEMBL17341970 0.74 FAAH (0.37) MTNR1AMTNR1BMAPTMEN1ALDH1A1
SCHEMBL25874897 0.72 HTR2A (0.64) MTNR1AMTNR1BGAAMAPTKDM4E
SCHEMBL17341982 0.71 CTNNB1 (0.50) GABRA1GABRB2CTNNB1WNT3AGAA
SCHEMBL16302212 0.70 GAA (0.64) MTNR1AMTNR1BGAAMAPTKDM4E

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 GABRA1 2168/4885GABRB2 956/4885MTNR1A 1249/4885
US-20180029990-A1 COMPOSITION AND METHOD FOR PREVENTION, MITIGATION OR TREATMENT OF AN ENTEROPATHOGENIC BACTERIAL INFECTION FABP2, LRBA, VIP GABRA1 2168/4885GABRB2 956/4885MTNR1A 1249/4885

“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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