SCHEMBL2050263

SCHEMBL2050263

CCCCc1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.64
NFKB1 P19838 1/20 0.64
MAPK1 P28482 1/20 0.64
RAB9A P51151 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
RARB P10826 6/20 0.56
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
RARA P10276 1/20 0.49
MAPT P10636 1/20 0.49
MTOR P42345 1/20 0.49
KMT2A Q03164 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
HSD11B1 P28845 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
SCHEMBL1599747 0.94 RARB (0.58) NPC1NFKB1MAPK1RAB9ANFKB2
SCHEMBL27881438 0.93 SMN1; SMN2 (0.59) NPC1NFKB1MAPK1RAB9ANFKB2
SCHEMBL687846 0.93 SMN1; SMN2 (0.59) NPC1NFKB1MAPK1RAB9ANFKB2
SCHEMBL22989786 0.92 HSD17B10 (0.61) NPC1NFKB1MAPK1RAB9ANFKB2
SCHEMBL4908685 0.92 HSD17B10 (0.61) NPC1NFKB1MAPK1RAB9ANFKB2
SCHEMBL26226733 0.92 HSD17B10 (0.61) NPC1NFKB1MAPK1RAB9ANFKB2
SCHEMBL10528231 0.92 HSD17B10 (0.61) NPC1NFKB1MAPK1RAB9ANFKB2
SCHEMBL10455067 0.92 HSD17B10 (0.61) NPC1NFKB1MAPK1RAB9ANFKB2
SCHEMBL8607022 0.92 HSD17B10 (0.61) NPC1NFKB1MAPK1RAB9ANFKB2
SCHEMBL31270913 0.92 HSD17B10 (0.61) NPC1NFKB1MAPK1RAB9ANFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12297386-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2025-05-13 US disclosed
EP-4237507-B1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2025-04-30 EP disclosed
CN-116601265-B Aromatic isothiocyanates 默克专利股份有限公司 2025-02-25 CN disclosed
CN-114829543-B Aromatic isothiocyanates 默克专利股份有限公司 2024-09-10 CN disclosed
CN-115745833-B Preparation method of 4-alkyl-4' -cyanobiphenyl 宁夏中星显示材料有限公司 2024-07-05 CN disclosed
EP-4073205-B1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-06-12 EP disclosed
US-20240117249-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-04-11 US disclosed
CN-117210227-A Room temperature stable crystallization-free twisted bending nematic liquid crystal dimer material and application thereof 华东理工大学 2023-12-12 CN disclosed
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
US-20110210322-A1 POLYMER COMPOUND CONTAINING NITROGEN-CONTAINING HETEROCYCLIC STRUCTURE, AND COMPOSITION, SOLUTION, THIN FILM AND POLYMER LIGHT-EMITTING ELEMENT EACH CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-01 US disclosed
EP-2336215-A1 POLYMER COMPOUND CONTAINING NITROGEN-CONTAINING HETEROCYCLIC STRUCTURE, AND COMPOSITION, SOLUTION, THIN FILM AND POLYMER LIGHT-EMITTING ELEMENT EACH CONTAINING SAME Sumitomo Chemical Company, Limited (JP) 2011-06-22 EP disclosed
US-7820251-B2 Liquid crystal compound and liquid crystal display utilizing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-10-26 US disclosed
US-20100230666-A1 AMINE-TYPE POLYMERIC COMPOUND, AND LIGHT-EMITTING ELEMENT COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 US disclosed
EP-2216356-A1 AMINE-TYPE POLYMERIC COMPOUND, AND LIGHT-EMITTING ELEMENT COMPRISING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-08-11 EP disclosed
US-7648743-B2 Liquid crystal compound and liquid crystal display utilizing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-01-19 US disclosed
US-20100009099-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL DISPLAY UTILIZING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-01-14 US disclosed
US-20090123666-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL DISPLAY UTILIZING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2009-05-14 US disclosed
US-7479575-B2 Method for preparing para-phenyl alkynyl benzaldehydes LABORATOIRES SERONO SA (CH) 2009-01-20 US disclosed
US-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-05-08 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 (7 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-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes TNNC1, CPT1B, MUSK NPC1 3688/4885NFKB1 1878/4885MAPK1 1361/4885
US-20090123666-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL DISPLAY UTILIZING THE SAME FZD7, PYCARD, DVL1 NPC1 2791/4885NFKB1 4380/4885MAPK1 2682/4885
US-20100230666-A1 AMINE-TYPE POLYMERIC COMPOUND, AND LIGHT-EMITTING ELEMENT COMPRISING THE SAME AHR, ARNT, MLLT1 NPC1 4200/4885NFKB1 3092/4885MAPK1 907/4885
US-20240117249-A1 AROMATIC ISOTHIOCYANATES TRPA1, FOXM1, MAFG NPC1 1048/4885NFKB1 1044/4885MAPK1 248/4885
US-12297386-B2 Aromatic isothiocyanates TRPA1, FOXM1, MAFG NPC1 1048/4885NFKB1 1044/4885MAPK1 248/4885
US-20100009099-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL DISPLAY UTILIZING THE SAME FZD7, PYCARD, DVL1 NPC1 2791/4885NFKB1 4380/4885MAPK1 2682/4885
US-20110210322-A1 POLYMER COMPOUND CONTAINING NITROGEN-CONTAINING HETEROCYCLIC STRUCTURE, AND COMPOSITION, SOLUTION, THIN FILM AND POLYMER LIGHT-EMITTING ELEMENT EACH CONTAINING SAME H1-10, RNF10, F10 NPC1 2235/4885NFKB1 1333/4885MAPK1 1856/4885

“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.