SCHEMBL456458

SCHEMBL456458

O=C(CCc1ccccc1Cl)Oc1cc(O)cc(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
POLB P06746 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
MCL1 Q07820 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
SCHEMBL28121888 0.84 PLAAT3 (0.48) NR4A2NPC1RAB9APLAAT3PLAAT5
SCHEMBL457074 0.82 GPR84 (0.46) MAOBFFAR1FFAR4TAAR1KMT2A
SCHEMBL457587 0.80 AKR1C3 (0.47) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL15094248 0.79 MAOB (0.44) MAOAMAOBFFAR1FFAR4IDO1
SCHEMBL455030 0.78 KMT2A (0.59) FFAR1FFAR4KMT2AMEN1MAPT
SCHEMBL8656536 0.76 L3MBTL1 (0.45) KMT2AMEN1MAPT
SCHEMBL454233 0.76 AKR1C3 (0.45) PLAAT3PLAAT5PLAAT2PLAAT4MAOA
SCHEMBL454743 0.75 FFAR1 (0.46) NR4A2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8655756 0.75 KMT2A (0.48) KMT2AMEN1MAPT
SCHEMBL5348780 0.74 TAAR1 (0.50) NPC1RAB9APLAAT3PLAAT5PLAAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800725-B2 Arylpropionyl-triketone antibacterial agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-13 US disclosed
US-9517994-B2 Antibacterial agents: phloroglucinol derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-12-13 US disclosed
US-20150011647-A1 ANTIBACTERIAL AGENTS: PHLOROGLUCINOL DERIVATIVES HOWARD HUGHES MEDICAL INSTITUTE 2015-01-08 US disclosed
US-20130289128-A1 ARYLPROPIONYL-TRIKETONE ANTIBACTERIAL AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-31 US disclosed
WO-2013103969-A1 ANTIBACTERIAL AGENTS: PHLOROGLUCINOL DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-07-11 WO disclosed
WO-2012033846-A1 ARYLPROPIONYL-TRIKETONE ANTIBACTERIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-03-15 WO 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-20130289128-A1 ARYLPROPIONYL-TRIKETONE ANTIBACTERIAL AGENTS POLR2H, POLR2A, POLR2E NR4A2 2773/4885NPC1 2693/4885RAB9A 2748/4885
US-20150011647-A1 ANTIBACTERIAL AGENTS: PHLOROGLUCINOL DERIVATIVES BET1, MRPL21, PHF6 NR4A2 2985/4885NPC1 3367/4885RAB9A 981/4885
US-10800725-B2 Arylpropionyl-triketone antibacterial agents POLR2H, POLR2A, POLR2E NR4A2 2773/4885NPC1 2693/4885RAB9A 2748/4885

“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.