SCHEMBL19975183

SCHEMBL19975183

O=C(/C=C/C1CCOCC1)NCC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HDAC8 Q9BY41 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
EPHX2 P34913 1/20 0.33
EPHX1 P07099 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
SCHEMBL19975184 1.00 TDP1 (0.40) TDP1ALOX15TSHRHDAC8HDAC2
SCHEMBL19974939 0.88 TDP1 (0.47) TDP1ALOX15TSHRHDAC8HDAC2
SCHEMBL15185799 0.78 CETP (0.46) TDP1ALOX15TSHRALDH1A1KMT2A
SCHEMBL16444123 0.78 CETP (0.46) TDP1ALOX15TSHRALDH1A1KMT2A
SCHEMBL15185780 0.75 NPC1 (0.34) TDP1ALOX15TSHRALDH1A1KMT2A
SCHEMBL16290244 0.75 NPC1 (0.34) TDP1ALOX15TSHRALDH1A1KMT2A
SCHEMBL16290203 0.74 CETP (0.48) ALOX15TSHRALDH1A1KMT2ANPC1
SCHEMBL15185851 0.74 CETP (0.48) ALOX15TSHRALDH1A1KMT2ANPC1
SCHEMBL10193849 0.74 ALDH1A1 (0.43) TDP1ALOX15TSHRALDH1A1KMT2A
SCHEMBL15185825 0.73 NPC1 (0.33) ALOX15TSHRKMT2ANPC1RAB9A

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
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
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 TDP1 1016/4885ALOX15 325/4885TSHR 4378/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C TDP1 911/4885ALOX15 518/4885TSHR 4240/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C TDP1 1016/4885ALOX15 325/4885TSHR 4378/4885

“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.