SCHEMBL17345612

SCHEMBL17345612

CCCc1cccc2nccc(C(=O)CCCCC(=O)O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 1/20 0.43
▸ LTB4R2 Q9NPC1 1/20 0.43
▸ KDM5A P29375 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ ELANE P08246 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ OXER1 Q8TDS5 3/20 0.36
▸ CYSLTR2 Q9NS75 1/20 0.35
▸ CYSLTR1 Q9Y271 1/20 0.35
▸ FAAH O00519 1/20 0.35

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
SCHEMBL17345580 0.91 HDAC3 (0.39) LTB4RLTB4R2HDAC3HDAC4HDAC1
SCHEMBL17341970 0.90 FAAH (0.37) LTB4RLTB4R2KDM5AKDM5BELANE
SCHEMBL19824749 0.83 LTB4R (0.38) LTB4RLTB4R2ELANEOXER1CYSLTR2
SCHEMBL17341983 0.82 PREP (0.40) KDM5AKDM5BELANEHDAC3HDAC4
SCHEMBL17341977 0.81 FAAH (0.37) ELANEHDAC3HDAC4HDAC1HDAC7
SCHEMBL17345606 0.81 KMT2A (0.47) LTB4RLTB4R2HDAC3HDAC4HDAC1
SCHEMBL17341971 0.81 PREP (0.41) KDM5AKDM5BELANEHDAC3HDAC4
SCHEMBL17345615 0.77 OXER1 (0.41) LTB4RLTB4R2HDAC3HDAC4HDAC1
SCHEMBL17345613 0.74 GABRA1 (0.47) LTB4RLTB4R2OXER1
SCHEMBL17345614 0.74 KMT2A (0.44) KDM5AKDM5BELANE

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 LTB4R 88/4885LTB4R2 113/4885KDM5A 4499/4885
US-20150361045-A1 COMPOSITION AND METHOD FOR PREVENTION, MITIGATION OR TREATMENT OF AN ENTEROPATHOGENIC BACTERIAL INFECTION FABP2, LRBA, VIP LTB4R 88/4885LTB4R2 113/4885KDM5A 4499/4885
US-20180029990-A1 COMPOSITION AND METHOD FOR PREVENTION, MITIGATION OR TREATMENT OF AN ENTEROPATHOGENIC BACTERIAL INFECTION FABP2, LRBA, VIP LTB4R 88/4885LTB4R2 113/4885KDM5A 4499/4885

“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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