SCHEMBL16901803

SCHEMBL16901803

CCCCCCc1ccc2oc(C=O)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.49
▸ KAT8 Q9H7Z6 2/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ ESR1 P03372 2/20 0.39
▸ ADRA2A P08913 2/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ TACR2 P21452 2/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SHBG P04278 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HSPD1 P10809 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ HTR2C P28335 1/20 0.39

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
SCHEMBL16901811 0.94 CYP2A6 (0.51) CYP2A6S1PR1ALDH1A1LMNATP53
SCHEMBL16901832 0.82 CYP2A6 (0.47) CYP2A6S1PR1KDM4EALDH1A1HSD17B10
SCHEMBL18067896 0.78 ESR1 (0.42) KAT8PPARAS1PR1ESR1ADRA2A
SCHEMBL16901847 0.76 CYP2A6 (0.50) CYP2A6ADORA3KDM4EALDH1A1CHRM2
SCHEMBL27556615 0.76 TLR8 (0.45) S1PR1ESR1ADRA2AADORA3TACR2
SCHEMBL1602093 0.73 S1PR1 (0.57) S1PR1ESR1ACHE
SCHEMBL181524 0.73 PLA2G4A (0.51) KAT8PPARAS1PR1ESR1ADRA2A
SCHEMBL11690859 0.72 PTGS2 (0.57) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL11222681 0.72 PTGS2 (0.57) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL27844768 0.72 PTGS2 (0.57) KAT8PPARAESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2861570-B1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES UNIV RUTGERS (US) 2018-07-18 — — EP disclosed
US-9592221-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-03-14 — — US disclosed
US-9592221-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-03-14 — — US disclosed
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 — — US disclosed
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 — — US disclosed
US-9315495-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-04-19 — — US disclosed
US-9315495-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-04-19 — — US disclosed
US-20150197512-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES PROVID PHARMACEUTICALS INC. 2015-07-16 — — US disclosed
US-20150197512-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES PROVID PHARMACEUTICALS INC. 2015-07-16 — — 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-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES POLRMT, POLR1C, FBL CYP2A6 941/4885KAT8 2124/4885PPARA 1393/4885
US-20150197512-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES FBL, POLRMT, POLR1C CYP2A6 1098/4885KAT8 2246/4885PPARA 900/4885

“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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