SCHEMBL6176552

SCHEMBL6176552

O=C(O)CC(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 3/20 0.64
CPA1 P15085 2/20 0.64
CPB1 P15086 1/20 0.64
CPB2 Q96IY4 1/20 0.64
CYP1A2 P05177 1/20 0.56
MIF P14174 1/20 0.53
KEAP1 Q14145 1/20 0.52
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
SRR Q9GZT4 2/20 0.52
MDM2 Q00987 1/20 0.50
AKR1B1 P15121 1/20 0.50
LTA4H P09960 2/20 0.49
SLC15A1 P46059 1/20 0.48
FOLH1 Q04609 1/20 0.48
FFAR1 O14842 1/20 0.48
MMP2 P08253 1/20 0.47

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
SCHEMBL11460484 0.95 CPA3 (0.64) CPA3CPA1CPB1CPB2CYP1A2
SCHEMBL6176180 0.90 CPA1 (0.55) CPA3CPA1CPB1CPB2CYP1A2
SCHEMBL8051200 0.90 CPA3 (0.58) CPA3CPA1CPB1CPB2CYP1A2
SCHEMBL7297804 0.90 CPA3 (0.58) CPA3CPA1CPB1CPB2CYP1A2
SCHEMBL4168904 0.88 CPA1 (0.56) CPA3CPA1CPB1CPB2CYP1A2
SCHEMBL27694620 0.88 CPA1 (0.56) CPA3CPA1CPB1CPB2CYP1A2
SCHEMBL21121200 0.88 CPA1 (0.56) CPA3CPA1CPB1CPB2CYP1A2
SCHEMBL5233735 0.88 CPA1 (0.56) CPA3CPA1CPB1CPB2CYP1A2
SCHEMBL7332841 0.86 CYP1A2 (0.56) CPA3CPA1CPB1CPB2CYP1A2
SCHEMBL5177112 0.86 CPA3 (0.61) CPA3CPA1CPB1CPB2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020141734-A1 METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR 기초과학연구원 2020-07-09 WO disclosed
US-9950993-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-24 US disclosed
US-9950993-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-24 US disclosed
US-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-22 US disclosed
US-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-22 US disclosed
EP-1203770-B1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases UPJOHN CO (US) 2005-03-09 EP disclosed
EP-0668860-B1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES UPJOHN CO (US) 2002-09-11 EP disclosed
EP-1203770-A1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases PHARMACIA & UPJOHN COMPANY (US) 2002-05-08 EP disclosed
EP-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 EP disclosed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 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 (1 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-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 CPA3 3771/4885CPA1 2516/4885CPB1 696/4885

“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.