SCHEMBL17345581

SCHEMBL17345581

Cc1cccc2cccc(/C=C/CC(=O)O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAM P19021 1/20 0.47
▸ PTGER1 P34995 4/20 0.44
▸ PTGER4 P35408 4/20 0.44
▸ PTGER3 P43115 4/20 0.44
▸ PTGER2 P43116 4/20 0.44
▸ PDE5A O76074 2/20 0.43
▸ SMPD2 O60906 2/20 0.39
▸ GRIK1 P39086 1/20 0.35
▸ GRIK2 Q13002 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL18555680 0.86 PTGER1 (0.41) PTGER1PTGER4PTGER3PTGER2PDE5A
SCHEMBL18555678 0.86 PTGER1 (0.41) PTGER1PTGER4PTGER3PTGER2PDE5A
SCHEMBL18555186 0.84 KMT2A (0.43) PTGER1PTGER4PTGER3PTGER2PDE5A
SCHEMBL18555187 0.84 KMT2A (0.43) PTGER1PTGER4PTGER3PTGER2PDE5A
SCHEMBL14966877 0.83 PAM (0.50) PAMPTGER1PTGER4PTGER3PTGER2
SCHEMBL14966874 0.83 PAM (0.50) PAMPTGER1PTGER4PTGER3PTGER2
SCHEMBL18555490 0.80 PTGER3 (0.52) PTGER1PTGER4PTGER3PTGER2KDM4E
SCHEMBL18555493 0.80 PTGER3 (0.52) PTGER1PTGER4PTGER3PTGER2KDM4E
SCHEMBL17341956 0.76 PTGER4 (0.43) PTGER1PTGER4PTGER3PTGER2KDM4E
SCHEMBL8844798 0.75 SMPD2 (0.58) PAMSMPD2GRIK1GRIK2ALDH1A1

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 5 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-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 PAM 906/4885PTGER1 353/4885PTGER4 722/4885
US-20150361045-A1 COMPOSITION AND METHOD FOR PREVENTION, MITIGATION OR TREATMENT OF AN ENTEROPATHOGENIC BACTERIAL INFECTION FABP2, LRBA, VIP PAM 906/4885PTGER1 353/4885PTGER4 722/4885
US-20180029990-A1 COMPOSITION AND METHOD FOR PREVENTION, MITIGATION OR TREATMENT OF AN ENTEROPATHOGENIC BACTERIAL INFECTION FABP2, LRBA, VIP PAM 906/4885PTGER1 353/4885PTGER4 722/4885

“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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