SCHEMBL5404668

SCHEMBL5404668

CCCc1ccc(Br)cc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.47
PDPK1 O15530 1/20 0.44
KDM1A O60341 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
BCAT2 O15382 1/20 0.38
AKR1B1 P15121 2/20 0.38
P2RX7 Q99572 1/20 0.37
DGAT1 O75907 1/20 0.37
MTNR1B P49286 1/20 0.37
NAAA Q02083 1/20 0.37
EDNRB P24530 2/20 0.37
EDNRA P25101 2/20 0.37
CHRM5 P08912 1/20 0.36

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
Formaldehyde SCHEMBL27932210 0.94 PDPK1 (0.44) PYCR1PDPK1KDM1ABCAT2AKR1B1
SCHEMBL6691430 0.88 TYR (0.47) PYCR1PDPK1KDM1ANPC1RAB9A
SCHEMBL223670 0.86 TYR (0.47) PYCR1PDPK1KDM1ABCAT2MTNR1B
SCHEMBL13464690 0.85 TYR (0.50) PYCR1PDPK1MTNR1B
SCHEMBL13464625 0.85 TYR (0.50) PYCR1PDPK1MTNR1B
SCHEMBL9710376 0.85 TYR (0.50) PYCR1PDPK1MTNR1B
SCHEMBL30294101 0.85 TYR (0.50) PYCR1PDPK1MTNR1B
SCHEMBL31555026 0.83 DPP4 (0.38) PYCR1DGAT1EDNRBEDNRA
SCHEMBL1310479 0.83 PYCR1 (0.50) PYCR1PDPK1KDM1AAKR1B1P2RX7
SCHEMBL2298211 0.81 PDPK1 (0.45) PYCR1PDPK1KDM1ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117720932-A Negative liquid crystal compound, liquid crystal composition and application thereof 安徽宇贝新材料科技有限公司 2024-03-19 CN disclosed
CN-116710446-A Crystal forms of GLP-1R agonist and application thereof 上海齐鲁锐格医药研发有限公司 2023-09-05 CN disclosed
EP-2669263-B1 COMPOUND CONTAINING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2017-11-22 EP disclosed
EP-2669263-B1 COMPOUND CONTAINING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2017-11-22 EP disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 US disclosed
WO-2015188194-A1 COMPOSITIONS AND METHODS FOR ENHANCED INTESTINAL ABSORPTION OF CONJUGATED OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2015-12-10 WO disclosed
WO-2015179693-A1 CONJUGATED ANTISENSE COMPOUNDS AND THEIR USE ISIS PHARMACEUTICALS, INC. (US) 2015-11-26 WO disclosed
US-9193908-B2 Compound having dihydrophenanthrene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-11-24 US disclosed
US-9193908-B2 Compound having dihydrophenanthrene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-11-24 US disclosed
WO-2012086437-A1 COMPOUND CONTAINING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY JNC株式会社 (JP) 2012-06-28 WO disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 US disclosed
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US disclosed
US-7514127-B2 Dibenzofuran derivatives, dibenzothiophene derivatives and fluorene derivatives MERCK PATENT GMBH (DE) 2009-04-07 US disclosed
US-7514127-B2 Dibenzofuran derivatives, dibenzothiophene derivatives and fluorene derivatives MERCK PATENT GMBH (DE) 2009-04-07 US disclosed
US-7326447-B2 Benzochromene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-02-05 US disclosed
US-7297378-B2 Fluorinated fused aromatics and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2007-11-20 US disclosed
US-20070219380-A1 Dibenzofuran Derivatives, Dibenzothiophene Derivatives and Fluorene Derivatives MERCK PATENT GMBH (DE) 2007-09-20 US disclosed
US-20070219380-A1 Dibenzofuran Derivatives, Dibenzothiophene Derivatives and Fluorene Derivatives MERCK PATENT GMBH (DE) 2007-09-20 US disclosed
US-20050258397-A1 Fluorinated fused aromatics and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2005-11-24 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 (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-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 PYCR1 2537/4885PDPK1 646/4885KDM1A 1431/4885
US-20070219380-A1 Dibenzofuran Derivatives, Dibenzothiophene Derivatives and Fluorene Derivatives ZYX, F3, YBX1 PYCR1 2736/4885PDPK1 3905/4885KDM1A 3653/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 PYCR1 979/4885PDPK1 1519/4885KDM1A 2060/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 PYCR1 1036/4885PDPK1 3290/4885KDM1A 149/4885
US-20050258397-A1 Fluorinated fused aromatics and their use in liquid-crystal mixtures AFF1, AFF2, AFF4 PYCR1 1607/4885PDPK1 3548/4885KDM1A 2503/4885

“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.