SCHEMBL17341969

SCHEMBL17341969

CC(=O)CCCCC(=O)c1c[nH]c2cccc(C)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 5/20 0.50
▸ WNT3A P56704 5/20 0.50
▸ GPR84 Q9NQS5 1/20 0.49
▸ GABRA1 P14867 2/20 0.45
▸ GABRB2 P47870 2/20 0.45
▸ ADAM17 P78536 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ BRPF1 P55201 1/20 0.39
▸ NR4A2 P43354 1/20 0.39
▸ PBRM1 Q86U86 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ DNMT1 P26358 1/20 0.38

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
SCHEMBL17341982 0.89 CTNNB1 (0.50) CTNNB1WNT3AGPR84GABRA1GABRB2
SCHEMBL17341974 0.85 GABRA1 (0.47) CTNNB1WNT3AGPR84GABRA1GABRB2
SCHEMBL17341967 0.82 GABRA1 (0.47) CTNNB1WNT3AGABRA1GABRB2ADAM17
SCHEMBL7842860 0.80 LMNA (0.54) CTNNB1WNT3AGPR84ADAM17NPC1
SCHEMBL10344616 0.79 GPR84 (0.58) CTNNB1WNT3AGPR84GAAKDM4E
SCHEMBL15356576 0.79 PBRM1 (0.56) CTNNB1WNT3AGPR84NPC1BRPF1
SCHEMBL16791407 0.78 GPR84 (0.49) CTNNB1WNT3AGPR84ADAM17NPC1
SCHEMBL17341972 0.77 CTNNB1 (0.40) CTNNB1WNT3ALMNAKDM4EMEN1
SCHEMBL3995494 0.76 GPR84 (0.51) CTNNB1WNT3AGPR84NPC1BRPF1
SCHEMBL19821107 0.75 CTNNB1 (0.41) CTNNB1WNT3ALMNAKDM4EMEN1

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 1157/4885GPR84 3795/4885
US-20180029990-A1 COMPOSITION AND METHOD FOR PREVENTION, MITIGATION OR TREATMENT OF AN ENTEROPATHOGENIC BACTERIAL INFECTION FABP2, LRBA, VIP CTNNB1 2003/4885WNT3A 1157/4885GPR84 3795/4885

“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.

Send feedback