SCHEMBL19975172

SCHEMBL19975172

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 3/20 0.42
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAP3K7 O43318 1/20 0.39
TAB1 Q15750 1/20 0.39
ALDH1A1 P00352 2/20 0.37
EPHX1 P07099 3/20 0.35
FAAH O00519 1/20 0.35
CYP3A4 P08684 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
EPHX2 P34913 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 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
SCHEMBL19975171 1.00 TAS1R3 (0.46) TAS1R3TAS1R1TDP1KMT2AALOX15
SCHEMBL21730487 0.87 TAS1R3 (0.40) TAS1R3TAS1R1KMT2AALOX15TSHR
SCHEMBL19975155 0.79 TDP1 (0.41) TDP1KMT2AALOX15TSHRMAP3K7
SCHEMBL19975152 0.79 TDP1 (0.48) TDP1KMT2AALOX15TSHRMAP3K7
SCHEMBL14381984 0.76 TAS1R3 (0.42) TAS1R3TAS1R1MAP3K7TAB1ALDH1A1
SCHEMBL19975260 0.76 TDP1 (0.45) TDP1KMT2AALOX15TSHRMAP3K7
SCHEMBL1060694 0.75 POLB (0.50) TDP1KMT2AALOX15TSHRALDH1A1
SCHEMBL1060697 0.75 POLB (0.50) TDP1KMT2AALOX15TSHRALDH1A1
SCHEMBL19974939 0.73 TDP1 (0.47) TDP1KMT2AALOX15TSHRMAP3K7
SCHEMBL19975270 0.73 FAAH (0.47) TAS1R3TAS1R1TDP1KMT2AALOX15

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 5 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-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 TAS1R3 3848/4885TAS1R1 3279/4885TDP1 1016/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C TAS1R3 3948/4885TAS1R1 3559/4885TDP1 911/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C TAS1R3 3848/4885TAS1R1 3279/4885TDP1 1016/4885

“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.