SCHEMBL19974956

SCHEMBL19974956

CC(C(O)C(=O)NC1CC1)N(C=O)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 2/20 0.50
ADH1A P07327 2/20 0.50
ADH1B P00325 1/20 0.50
ATM Q13315 1/20 0.37
KDM4E B2RXH2 3/20 0.35
TSHR P16473 3/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EPHX1 P07099 8/20 0.35
POLB P06746 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL19974716 0.85 ADH1A (0.53) ADH1CADH1AADH1BTSHRPOLB
SCHEMBL21176348 0.81 ADH1A (0.47) ADH1CADH1AADH1BKDM4EHTT
SCHEMBL19975424 0.80 EPHX1 (0.39) ADH1CADH1AADH1BTSHREPHX1
SCHEMBL19975423 0.80 EPHX1 (0.39) ADH1CADH1AADH1BTSHREPHX1
SCHEMBL19974862 0.80 ADH1B (0.46) ADH1CADH1AADH1BTSHREPHX1
SCHEMBL19975527 0.80 ADH1C (0.46) ADH1CADH1AADH1BTSHREPHX1
SCHEMBL19974754 0.77 EPHX1 (0.39) ATMKDM4EEPHX1NPC1RAB9A
SCHEMBL19975369 0.75 ADH1C (0.51) ADH1CADH1AADH1BATMKDM4E
SCHEMBL21176292 0.75 KMT2A (0.42) ADH1CADH1AADH1BATMEPHX1
SCHEMBL21176290 0.75 KMT2A (0.42) ADH1CADH1AADH1BATMEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C ADH1C 3925/4885ADH1A 3054/4885ADH1B 1889/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ADH1C 3739/4885ADH1A 2909/4885ADH1B 2084/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ADH1C 3925/4885ADH1A 3054/4885ADH1B 1889/4885

“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.