SCHEMBL349345

SCHEMBL349345

CCCCCCCCc1ccc(Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.63
ADRA2A P08913 2/20 0.63
ADORA3 P0DMS8 2/20 0.63
TACR2 P21452 2/20 0.63
SLC6A2 P23975 2/20 0.63
SLC6A4 P31645 2/20 0.63
SLC6A3 Q01959 2/20 0.63
LMNA P02545 2/20 0.63
ALDH1A1 P00352 2/20 0.63
HSD17B10 Q99714 2/20 0.63
KDM4E B2RXH2 1/20 0.63
SHBG P04278 1/20 0.63
TP53 P04637 1/20 0.63
CYP3A4 P08684 1/20 0.63
HSPD1 P10809 1/20 0.63
ADRB3 P13945 1/20 0.63
HTR2C P28335 1/20 0.63
HSPE1 P61604 1/20 0.63
HIF1A Q16665 1/20 0.63
TST Q16762 1/20 0.63

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
SCHEMBL1021920 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL3178688 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL15200865 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL2831631 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL340275 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL4191545 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL7471227 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL7781659 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL15353198 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL17857869 0.98 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004747-A Synthesis method of fingolimod hydrochloride 杭州科耀医药科技有限公司 2025-05-16 CN claimed
CN-117715912-B Macrocyclic ligands with picolinate groups, complexes thereof and medical uses 法国加柏公司 2026-05-12 CN disclosed
CN-120004747-A Synthesis method of fingolimod hydrochloride 杭州科耀医药科技有限公司 2025-05-16 CN disclosed
CN-119842071-A Conductive polymer material, preparation method and application 北京大学深圳研究生院 2025-04-18 CN disclosed
US-20240352011-A1 Macrocyclic Ligands with Picolinate Group(s), Complexes and Medical Uses Thereof GUERBET (FR) 2024-10-24 US disclosed
CN-118772001-A Method for synthesizing diarylamine compound by continuous light flow 陕西师范大学 2024-10-15 CN disclosed
CN-118546174-A Synthesis method and application of novel hydrolysis-resistant phosphorus antioxidant 南雄志一精细化工有限公司 2024-08-27 CN disclosed
US-12037440-B2 Highly soluble bis-borate as binuclear co-catalysts for olefin polymerization DOW GLOBAL TECHNOLOGIES LLC (US) 2024-07-16 US disclosed
US-12037440-B2 Highly soluble bis-borate as binuclear co-catalysts for olefin polymerization DOW GLOBAL TECHNOLOGIES LLC (US) 2024-07-16 US disclosed
US-12037440-B2 Highly soluble bis-borate as binuclear co-catalysts for olefin polymerization DOW GLOBAL TECHNOLOGIES LLC (US) 2024-07-16 US disclosed
EP-0944690-A1 1,1,5,7-TETRAFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES Aventis Research & Technologies GmbH & Co KG (DE) 1999-09-29 EP disclosed
EP-0944565-A1 1,3,5-TRIFLUORONAPHTHALENE DERIVATIVES FOR LIQUID CRYSTALLINE MIXTURES Aventis Research & Technologies GmbH & Co. KG (DE) 1999-09-29 EP disclosed
EP-0860417-A2 Liquid crystalline compounds and process for producing the same DAI NIPPON PRINTING CO., LTD. (JP) 1998-08-26 EP disclosed
WO-1998027179-A1 1,1,5,7-TETRAFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-25 WO disclosed
WO-1998027045-A1 5,7-DIFLUORO-3,4-DIHYDRO-2H-NAPHTHALENE-1-ONE DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTAL MIXTURES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-25 WO disclosed
WO-1998027038-A1 1,3,5-TRIFLUORONAPHTHALENE DERIVATIVES FOR LIQUID CRYSTALLINE MIXTURES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1998-06-25 WO disclosed
WO-1998027037-A1 1,3-DIFLUORONAPTHALENE DERIVATIVES FOR LIQUID CRYSTAL MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed
WO-1998027042-A1 5,7-DIFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES AND THEIR USE THEREOF IN LIQUID CRYSTAL MIXTURES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1998-06-25 WO disclosed
US-5380460-A Ferroelectric liquid crystal compounds containing chiral haloalkoxy tail units and compositions containing them DISPLAYTECH, INC. (US) 1995-01-10 US disclosed
WO-1993006192-A1 FERROELECTRIC LIQUID CRYSTAL COMPOUNDS CONTAINING CHIRAL HALOALKOXY TAIL UNITS AND COMPOSITIONS CONTAINING THEM DISPLAYTECH, INCORPORATED (US) 1993-04-01 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 (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-20240352011-A1 Macrocyclic Ligands with Picolinate Group(s), Complexes and Medical Uses Thereof MPI, GRPR, SSTR3 ESR1 4126/4885ADRA2A 4183/4885ADORA3 359/4885

“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.