SCHEMBL3376213

SCHEMBL3376213

COc1ccc2occ(Br)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAOA P21397 3/20 0.49
MAOB P27338 3/20 0.49
NPC1 O15118 3/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
MTNR1A P48039 5/20 0.47

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
SCHEMBL9057896 0.86 ALDH1A1 (0.60) ALDH1A1LMNATSHRHTTRAB9A
SCHEMBL23287848 0.85 PIN1 (0.57) ALDH1A1RAB9AKMT2ASMN1; SMN2HPGD
SCHEMBL719569 0.79 ALDH1A1 (0.63) ALDH1A1LMNATSHRHTTRAB9A
SCHEMBL13657349 0.78 ALDH1A1 (0.57) ALDH1A1LMNATSHRHTTRAB9A
SCHEMBL5242625 0.76 RAB9A (0.61) ALDH1A1LMNARAB9AKMT2ASMN1; SMN2
SCHEMBL6217970 0.75 MTNR1A (0.64) ALDH1A1LMNATSHRHTTMTNR1A
SCHEMBL28006934 0.74 PTPN1 (0.53) ALDH1A1TSHRHTTRAB9AKMT2A
SCHEMBL30695267 0.74 PTPN1 (0.53) ALDH1A1TSHRHTTRAB9AKMT2A
SCHEMBL17237762 0.74 ALDH1A1 (0.62) ALDH1A1LMNATSHRHTTRAB9A
SCHEMBL30963763 0.74 ALDH1A1 (0.62) ALDH1A1LMNATSHRHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4048675-A1 COMPOUNDS THAT CAN BE USED IN AN ORGANIC ELECTRONIC DEVICE Merck Patent GmbH (DE) 2022-08-31 EP disclosed
CN-114630831-A Compounds useful in organic electronic devices 默克专利有限公司 2022-06-14 CN disclosed
WO-2021078831-A1 COMPOUNDS THAT CAN BE USED IN AN ORGANIC ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2021-04-29 WO disclosed
EP-1653944-B1 HETEROCYCLIC COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-10 EP disclosed
EP-1653944-B1 HETEROCYCLIC COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-10 EP disclosed
US-7696365-B2 Heterocyclic compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-04-13 US disclosed
US-7696365-B2 Heterocyclic compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-04-13 US disclosed
US-7696365-B2 Heterocyclic compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-04-13 US disclosed
WO-2010016552-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME 武田薬品工業株式会社 (JP) 2010-02-11 WO disclosed
EP-1653944-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-05-10 EP disclosed
US-20060058295-A1 Novel compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-03-16 US disclosed
WO-2005011670-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-10 WO disclosed
WO-2005011670-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-10 WO disclosed
US-20050026969-A1 Heterocyclic compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-03 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 (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-20060058295-A1 Novel compounds as pharmaceutical agents TGFB1, TGFB2, TGFBR1 ALDH1A1 1346/4885LMNA 2799/4885TSHR 1511/4885
US-20050026969-A1 Heterocyclic compounds useful as malonyl-CoA decarboxylase inhibitors ACACA, ACACB, PC ALDH1A1 270/4885LMNA 3573/4885TSHR 4509/4885

“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.