SCHEMBL19974780

SCHEMBL19974780

CC(C)CC(NCC1CCCO1)C(O)C(=O)NCC1CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 5/20 0.42
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ALOX12 P18054 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
SCHEMBL19974827 0.85 TDP1 (0.38) KMT2ATDP1SMN1; SMN2
SCHEMBL21183504 0.83 NPC1 (0.33) KMT2ATDP1
SCHEMBL19974753 0.80 MC4R (0.34) KMT2ATDP1
SCHEMBL19975192 0.80 MC4R (0.34) KMT2ATDP1
SCHEMBL19975431 0.80 MC4R (0.34) KMT2ATDP1
SCHEMBL19975194 0.77 LMNA (0.38) RXFP1MEN1KMT2AHPGDHTT
SCHEMBL21183505 0.76 TDP1 (0.38) KMT2ATDP1SMN1; SMN2
SCHEMBL6512150 0.73 MEN1 (0.52) RXFP1MEN1KMT2AHPGDHTT
SCHEMBL17152403 0.73 MEN1 (0.52) RXFP1MEN1KMT2AHPGDHTT
SCHEMBL17152522 0.73 MEN1 (0.52) RXFP1MEN1KMT2AHPGDHTT

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 7 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
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 RXFP1 1779/4885MEN1 4331/4885KMT2A 4031/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C RXFP1 2251/4885MEN1 4361/4885KMT2A 4177/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C RXFP1 1779/4885MEN1 4331/4885KMT2A 4031/4885

“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.