SCHEMBL198796

SCHEMBL198796

Brc1ccc(Br)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.48
HTR6 P50406 2/20 0.46
PKM P14618 1/20 0.43
PARP1 P09874 1/20 0.42
PRNP P04156 2/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
EPHX1 P07099 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
APAF1 O14727 2/20 0.39
TDP2 O95551 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL30710586 1.00 RXFP1 (0.48) RXFP1HTR6PKMPARP1PRNP
SCHEMBL29429114 1.00 RXFP1 (0.48) RXFP1HTR6PKMPARP1PRNP
SCHEMBL13632075 0.90 CYP1A2 (0.47) RXFP1HTR6PKMPARP1PRNP
SCHEMBL13631978 0.90 CYP1A2 (0.47) RXFP1HTR6PKMPARP1PRNP
SCHEMBL623432 0.90 CYP1A2 (0.47) RXFP1HTR6PKMPARP1PRNP
SCHEMBL13631896 0.90 CYP1A2 (0.47) RXFP1HTR6PKMPARP1PRNP
SCHEMBL30052553 0.90 CYP1A2 (0.47) RXFP1HTR6PKMPARP1PRNP
SCHEMBL1489217 0.85 PARP1 (0.54) RXFP1HTR6PARP1PRNPCYP1A2
SCHEMBL29375428 0.85 PARP1 (0.54) RXFP1HTR6PARP1PRNPCYP1A2
SCHEMBL570484 0.83 CYP1A2 (0.68) RXFP1HTR6PKMCYP1A2ALDH1A1

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 1212 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117776989-A Ultraviolet light response organic single-molecule material and preparation method and application thereof 闽都创新实验室 2024-03-29 CN claimed
CN-117682984-A AIE active photosensitizer and preparation method and application thereof 兰州大学 2024-03-12 CN claimed
CN-117402494-A Complex high-strength polyarylene sulfide based composite material and preparation and application thereof 新凝合科技(成都)有限公司 2024-01-16 CN claimed
CN-116162253-A Cu (I) -MOF coordination compound SUST-WZ3 for realizing ultra-long near infrared room temperature phosphorescence and preparation method thereof 陕西科技大学 2023-05-26 CN claimed
CN-109534949-B Nano graphene material and preparation method and application thereof 陕西理工大学 2022-05-27 CN claimed
CN-110128328-B Fluorescent probe for identifying molybdate ions and preparation method and identification method thereof 贵州大学 2022-03-15 CN claimed
CN-112812309-A Preparation method of hybrid polymer 中国科学院福建物质结构研究所 2021-05-18 CN claimed
CN-111269397-B Polymerization method and polymer prepared by same 中国科学院福建物质结构研究所 2021-05-11 CN claimed
CN-110591125-B Soluble three-dimensional crosslinked elastomer and preparation and treatment method thereof 北京理工大学 2021-01-26 CN claimed
CN-112194113-A Morphology-controllable carbon material based on porous aromatic skeleton and preparation method and application thereof 辽宁大学 2021-01-08 CN claimed
CN-110591125-A Soluble three-dimensional crosslinked elastomer and preparation and treatment method thereof 北京理工大学 2019-12-20 CN claimed
CN-109534949-A A kind of nano-graphene material and the preparation method and application thereof 陕西理工大学 2019-03-29 CN claimed
CN-104497028-A Method for synthesizing 4-(9,9-dimethylfluorene)naphthaleneboronic acid ASLEE BIOPHARMACEUTICALS INC 2015-04-08 CN claimed
US-7906724-B2 N-type conjugated materials based on 2-vinyl-4,5-dicyanoimidazoles and their use in organic photovoltaics AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-03-15 US claimed
US-20090032106-A1 N-type conjugated materials based on 2-vinyl-4,5-dicyanoimidazoles and their use in organic photovoltaics AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2009-02-05 US claimed
CN-1990477-A Linear dicationic terphenyls and their aza analogues as antiparasitic agents UNIV NORTH CAROLINA CHAPEL HILL (US) 2007-07-04 CN claimed
US-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TIDWELL RICHARD R 2006-12-28 US claimed
EP-1736466-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents The University of North Carolina at Chapel Hill (US) 2006-12-27 EP claimed
EP-0087269-B1 PLANT GROWTH REGULATORS COALITE GROUP PLC (GB) 1986-11-20 EP claimed
US-4264695-A LAMINATED ELECTROCONDUCTIVE SUPPORTS RICOH CO., LTD. (JP) 1981-04-28 US claimed

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-20090032106-A1 N-type conjugated materials based on 2-vinyl-4,5-dicyanoimidazoles and their use in organic photovoltaics NECTIN4, VCL, VDAC3 RXFP1 4761/4885HTR6 2498/4885PKM 3166/4885
US-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT RXFP1 4630/4885HTR6 2716/4885PKM 3168/4885

“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.