SCHEMBL12081950

SCHEMBL12081950

COc1cc(C(=O)O)c(I)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.50
▸ FYN P06241 1/20 0.50
▸ MYC P01106 1/20 0.46
▸ KDM4E B2RXH2 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ APP P05067 1/20 0.43
▸ PKM P14618 2/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA4 P22748 2/20 0.40
▸ CA6 P23280 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ MAPT P10636 2/20 0.40

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
SCHEMBL238197 0.86 LCK (0.66) LCKFYNMYCKDM4EALDH1A1
SCHEMBL12082034 0.84 NNMT (0.44) LCKFYNKDM4EALDH1A1HPGD
SCHEMBL6704966 0.82 LCK (0.60) LCKFYNMYCKDM4EALDH1A1
SCHEMBL28625696 0.82 LCK (0.55) LCKFYNMYCKDM4EALDH1A1
SCHEMBL25299997 0.80 LCK (0.62) LCKFYNMYCKDM4EALDH1A1
SCHEMBL28262539 0.80 LCK (0.49) LCKFYNMYCKDM4EALDH1A1
SCHEMBL10597044 0.80 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL2139729 0.79 LCK (0.50) LCKFYNMYCKDM4EALDH1A1
SCHEMBL13596372 0.79 ALDH1A1 (0.56) LCKFYNMYCKDM4EALDH1A1
SCHEMBL22595755 0.78 HTT (0.47) LCKFYNKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180002298-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PROTAMED INC (US) 2018-01-04 — — US disclosed
US-20170022174-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PROTAMED INC (US) 2017-01-26 — — US disclosed
US-9334251-B2 Compounds for the treatment of neurodegenerative diseases PROTAMED, INC. (US) 2016-05-10 — — US disclosed
US-20150274681-A1 Compounds for the treatment of Neurodegenerative Diseases PROTEOTECH INC. (US) 2015-10-01 — — US disclosed
US-9085549-B2 Compounds for the treatment of neurodegenerative diseases PROTEOTECH INC (US) 2015-07-21 — — US disclosed
US-20150011604-A1 Compounds for the treatment of neurodegenerative diseases PROTEOTECH INC. (US) 2015-01-08 — — US disclosed
US-8865754-B2 Compounds for the treatment of neurodegenerative diseases PROTEOTECH INC. (US) 2014-10-21 — — US disclosed
WO-2013050938-A1 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-04-11 — — WO disclosed
US-8258162-B2 Catechol derivative, pharmaceutical composition containing the same, use of the catechol derivative, and use of the pharmaceutical composition KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-09-04 — — US disclosed
US-20110172208-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-07-14 — — US disclosed
WO-2011047432-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2011-04-28 — — 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 (5 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-20150274681-A1 Compounds for the treatment of Neurodegenerative Diseases PSEN1, PSEN2, GRN LCK 4043/4885FYN 416/4885MYC 2861/4885
US-20110172208-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION COMT, CYP3A5, CYP2D6 LCK 4000/4885FYN 1544/4885MYC 3873/4885
US-20180002298-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PSEN1, PSEN2, GRN LCK 4043/4885FYN 416/4885MYC 2861/4885
US-20150011604-A1 Compounds for the treatment of neurodegenerative diseases SNCA, MAPT, PARK7 LCK 3078/4885FYN 451/4885MYC 4100/4885
US-20170022174-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PSEN1, PSEN2, GRN LCK 4043/4885FYN 416/4885MYC 2861/4885

“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.

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