SCHEMBL17422372

SCHEMBL17422372

COC(=O)C(=O)C#Cc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
FFAR1 O14842 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
ACACB O00763 1/20 0.40
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL16327701 0.85 VCP (0.46) VCPTDP1FFAR1KDM4EALDH1A1
SCHEMBL7636834 0.83 NPSR1 (0.52) VCPFFAR1KDM4EALDH1A1MAPT
SCHEMBL11902648 0.81 GABRP (0.49) VCPTDP1FFAR1KDM4EALDH1A1
SCHEMBL12930159 0.80 VCP (0.41) VCPTDP1FFAR1KDM4EALDH1A1
SCHEMBL20089259 0.76 VCP (0.55) VCPTDP1FFAR1KDM4EALDH1A1
SCHEMBL12430908 0.74 VCP (0.53) VCPTDP1FFAR1KDM4EALDH1A1
SCHEMBL670335 0.74 VCP (0.58) VCPFFAR1ALDH1A1ACACBLMNA
SCHEMBL18929859 0.73 HTT (0.44) VCPTDP1FFAR1ALDH1A1MAPT
SCHEMBL14126185 0.72 VCP (0.52) VCPTDP1FFAR1KDM4EALDH1A1
SCHEMBL6781061 0.72 VCP (0.52) VCPFFAR1ALDH1A1ACACBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180334453-A1 ISOINDOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2018-11-22 US disclosed
US-10112899-B2 Isoindoline derivatives for use in the treatment of a viral infection VIIV HEALTHCARE UK LIMITED (GB) 2018-10-30 US disclosed
EP-3383863-A1 ISOINDOLINE DERIVATIVES ViiV Healthcare UK Limited (GB) 2018-10-10 EP disclosed
US-20180244617-A1 ISOINDOLINE DERIVATIVES FOR USE IN THE TREATMENT OF A VIRAL INFECTION VIIV HEALTHCARE UK LIMITED (GB) 2018-08-30 US disclosed
EP-3166925-B1 ISOINDOLINE DERIVATIVES FOR USE IN THE TREATMENT OF A VIRAL INFECTION VIIV HEALTHCARE UK LTD (GB) 2018-03-14 EP disclosed
EP-3166925-B1 ISOINDOLINE DERIVATIVES FOR USE IN THE TREATMENT OF A VIRAL INFECTION VIIV HEALTHCARE UK LTD (GB) 2018-03-14 EP disclosed
WO-2017093937-A1 ISOINDOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2017-06-08 WO disclosed
WO-2017093937-A1 ISOINDOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2017-06-08 WO disclosed
CN-106795141-A Isoindoline derivatives for the treatment of viral infections VIIV保健英国有限公司 2017-05-31 CN disclosed
EP-3166925-A1 ISOINDOLINE DERIVATIVES FOR USE IN THE TREATMENT OF A VIRAL INFECTION VIIV Healthcare UK Limited (GB) 2017-05-17 EP disclosed
WO-2016005878-A1 ISOINDOLINE DERIVATIVES FOR USE IN THE TREATMENT OF A VIRAL INFECTION VIIV HEALTHCARE UK LIMITED (GB) 2016-01-14 WO disclosed
WO-2016005878-A1 ISOINDOLINE DERIVATIVES FOR USE IN THE TREATMENT OF A VIRAL INFECTION VIIV HEALTHCARE UK LIMITED (GB) 2016-01-14 WO disclosed
US-9018362-B2 Oligonucleotide and use thereof NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-04-28 US 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-20180244617-A1 ISOINDOLINE DERIVATIVES FOR USE IN THE TREATMENT OF A VIRAL INFECTION EIF2AK2, MAVS, OAT VCP 1676/4885TDP1 1721/4885FFAR1 3745/4885
US-20180334453-A1 ISOINDOLINE DERIVATIVES IRF3, EIF2AK2, MAVS VCP 2301/4885TDP1 2060/4885FFAR1 3502/4885
US-10112899-B2 Isoindoline derivatives for use in the treatment of a viral infection EIF2AK2, MAVS, OAT VCP 1676/4885TDP1 1721/4885FFAR1 3745/4885

“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.