SCHEMBL81026

SCHEMBL81026

O=[N+]([O-])c1cccc(CCCO)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
ALDH1A1 P00352 5/20 0.56
LMNA P02545 2/20 0.56
SIGMAR1 Q99720 2/20 0.56
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
ALOX15 P16050 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 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
SCHEMBL30409299 0.89 TSHR (0.62) TSHRALDH1A1LMNASIGMAR1HPGD
SCHEMBL78754 0.89 TSHR (0.62) TSHRALDH1A1LMNASIGMAR1HPGD
SCHEMBL27945832 0.85 F2 (0.53) ALDH1A1LMNASIGMAR1HPGDMEN1
SCHEMBL8867687 0.84 TSHR (0.61) TSHRALDH1A1LMNASIGMAR1HPGD
SCHEMBL9627328 0.83 MAOB (0.64) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL1935375 0.83 TSHR (0.69) TSHRALDH1A1LMNASIGMAR1HPGD
SCHEMBL6998770 0.83 TSHR (0.59) TSHRALDH1A1LMNASIGMAR1HPGD
SCHEMBL7328646 0.83 TSHR (0.59) TSHRALDH1A1LMNASIGMAR1HPGD
SCHEMBL81981 0.83 TSHR (0.59) TSHRALDH1A1LMNASIGMAR1HPGD
SCHEMBL9172285 0.83 TSHR (0.59) TSHRALDH1A1LMNASIGMAR1HPGD

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024072178-A1 COMPOUND FOR TARGETED PROTEIN DEGRADATION, AND USE THEREOF (주)사이러스테라퓨틱스 2024-04-04 WO disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
CN-101730677-B Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-16 CN disclosed
US-8765727-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-07-01 US disclosed
US-8765727-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-07-01 US disclosed
US-8394829-B2 Bi-functional quinoline analogs GILEAD SCIENCES, INC. (US) 2013-03-12 US disclosed
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 WO disclosed
EP-1015441-A1 PROCESS TO PRODUCE 4-HYDROXY-2-OXO-PYRANE DERIVATIVES USEFUL AS PROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-07-05 EP disclosed
WO-1999012919-A1 PROCESS TO PRODUCE 4-HYDROXY-2-OXO-PYRANE DERIVATES USEFUL AS PROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-03-18 WO disclosed
US-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed
US-5428034-A Insecticides, parasiticides, anthelmintics SANKYO CO., LTD. (JP) 1995-06-27 US disclosed
EP-0444964-B1 Milbemycin ether derivatives, their preparation and their anthelmintic uses SANKYO CO (JP) 1994-10-26 EP disclosed
EP-0444964-A1 Milbemycin ether derivatives, their preparation and their anthelmintic uses Sankyo Company Limited (JP) 1991-09-04 EP disclosed
EP-0162208-B1 NOVEL N-SUBSTITUTED 3,4-DIHYDROPYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1989-11-23 EP disclosed
US-4683234-A HYPOTENSIVE AGENTS, ANTI-ANGINA SUNTORY LIMITED (JP) 1987-07-28 US disclosed
EP-0162208-A2 Novel N-substituted 3,4-dihydropyrimidine derivatives, processes for preparing them and pharmaceutical compositions SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1985-11-27 EP 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 (1 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-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS BDKRB2, BDKRB1, HRH2 TSHR 2331/4885ALDH1A1 1304/4885LMNA 2050/4885

“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.