SCHEMBL17345611

SCHEMBL17345611

CCc1cccc2[nH]cc(C(=O)CCCCC(=O)O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 1/20 0.49
▸ GABRA1 P14867 5/20 0.47
▸ GABRB2 P47870 5/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ DNMT1 P26358 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ CASP6 P55212 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CTNNB1 P35222 2/20 0.42
▸ WNT3A P56704 2/20 0.42
▸ LMNA P02545 1/20 0.41

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
SCHEMBL17345613 0.91 GABRA1 (0.47) ADAM17GABRA1GABRB2ALDH1A1GAA
SCHEMBL17341974 0.89 GABRA1 (0.47) ADAM17GABRA1GABRB2ALDH1A1GAA
SCHEMBL17341982 0.85 CTNNB1 (0.50) ADAM17GABRA1GABRB2ALDH1A1GAA
SCHEMBL17341967 0.81 GABRA1 (0.47) ADAM17GABRA1GABRB2ALDH1A1GAA
SCHEMBL17345582 0.77 KMT2A (0.47) ALDH1A1KDM4EMEN1POLBMAPT
SCHEMBL17341969 0.74 CTNNB1 (0.50) ADAM17GABRA1GABRB2ALDH1A1GAA
SCHEMBL17345609 0.72 OXER1 (0.40) ALDH1A1KDM4EMEN1POLBMAPT
SCHEMBL17345580 0.72 HDAC3 (0.39) ALDH1A1KDM4EPOLBKMT2AHTT
SCHEMBL9418838 0.71 SMN1; SMN2 (0.52) GABRA1GABRB2ALDH1A1GAAKDM4E
SCHEMBL10344754 0.69 GPR84 (0.58) ALDH1A1GAAKDM4EMEN1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377716-B2 Composition and method for prevention, mitigation or treatment of an enteropathogenic bacterial infection TRUSTEES OF DARTMOUTH COLLEGE (US) 2019-08-13 — — US disclosed
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 (3 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-10377716-B2 Composition and method for prevention, mitigation or treatment of an enteropathogenic bacterial infection FABP2, LRBA, VIP ADAM17 1083/4885GABRA1 2168/4885GABRB2 956/4885
US-20150361045-A1 COMPOSITION AND METHOD FOR PREVENTION, MITIGATION OR TREATMENT OF AN ENTEROPATHOGENIC BACTERIAL INFECTION FABP2, LRBA, VIP ADAM17 1083/4885GABRA1 2168/4885GABRB2 956/4885
US-20180029990-A1 COMPOSITION AND METHOD FOR PREVENTION, MITIGATION OR TREATMENT OF AN ENTEROPATHOGENIC BACTERIAL INFECTION FABP2, LRBA, VIP ADAM17 1083/4885GABRA1 2168/4885GABRB2 956/4885

“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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