SCHEMBL17450481

SCHEMBL17450481

O=C(c1cccc(C#Cc2ccccc2)c1)c1cccc(C#Cc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.52
▸ PBRM1 Q86U86 1/20 0.52
▸ PTPN11 Q06124 1/20 0.51
▸ HNF4A P41235 1/20 0.50
▸ APP P05067 1/20 0.50
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ FFAR1 O14842 1/20 0.46
▸ HSP90AA1 P07900 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ S1PR2 O95136 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ MEN1 O00255 1/20 0.45

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
SCHEMBL14338517 0.98 ATM (0.65) ATMTDP1L3MBTL1ALDH1A1PBRM1
SCHEMBL4301156 0.88 L3MBTL1 (0.53) ATMTDP1L3MBTL1ALDH1A1PBRM1
SCHEMBL6368724 0.88 VCP (0.57) ATMTDP1L3MBTL1ALDH1A1PBRM1
SCHEMBL1927619 0.88 SLC7A11 (0.55) PTPN11HNF4AAPPCA12CA1
SCHEMBL6673707 0.88 CES2 (0.52) ATMTDP1L3MBTL1ALDH1A1PTPN11
SCHEMBL7716935 0.85 VNN1 (0.47) ATMTDP1L3MBTL1HNF4ACA12
SCHEMBL28979629 0.84 PTPN11 (0.49) ATMTDP1L3MBTL1ALDH1A1PTPN11
SCHEMBL12182347 0.84 ACACB (0.57) ALDH1A1PTPN11HNF4AAPPCA12
SCHEMBL7576350 0.83 MEN1 (0.46) ATMTDP1L3MBTL1ALDH1A1PTPN11
SCHEMBL3448794 0.83 CA12 (0.45) ATMTDP1L3MBTL1PBRM1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10166530-B2 Use of certain transition metal hyperaccumulator plants for reducing organic compounds in a green manner CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2019-01-01 — — US disclosed
US-20170157594-A1 USE OF CERTAIN TRANSITION METAL HYPERACCUMULATOR PLANTS FOR REDUCING ORGANIC COMPOUNDS IN A GREEN MANNER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2017-06-08 — — US disclosed
US-20170157594-A1 USE OF CERTAIN TRANSITION METAL HYPERACCUMULATOR PLANTS FOR REDUCING ORGANIC COMPOUNDS IN A GREEN MANNER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2017-06-08 — — US disclosed
WO-2016009116-A1 USE OF CERTAIN TRANSITION METAL HYPERACCUMULATOR PLANTS FOR REDUCING ORGANIC COMPOUNDS IN A GREEN MANNER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2016-01-21 — — 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 (2 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-10166530-B2 Use of certain transition metal hyperaccumulator plants for reducing organic compounds in a green manner SLC39A3, OAT, GLB1 ATM 3322/4885TDP1 2333/4885L3MBTL1 882/4885
US-20170157594-A1 USE OF CERTAIN TRANSITION METAL HYPERACCUMULATOR PLANTS FOR REDUCING ORGANIC COMPOUNDS IN A GREEN MANNER SLC39A3, OAT, GLB1 ATM 3322/4885TDP1 2333/4885L3MBTL1 882/4885

“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.

Send feedback