SCHEMBL1005003

SCHEMBL1005003

ClCCc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2D6 P10635 2/20 0.50
MTNR1A P48039 2/20 0.49
NQO2 P16083 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
ACP3 P15309 1/20 0.47
SLC18A2 Q05940 1/20 0.45
DAO P14920 1/20 0.45
CYP2A6 P11509 1/20 0.44

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
SCHEMBL29434714 1.00 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL6683457 0.87 CYP1A2 (0.50) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL3047898 0.85 CYP1A2 (0.62) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL6683055 0.85 CYP1A2 (0.48) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL6681465 0.84 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL6680321 0.84 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL6685060 0.84 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL6686378 0.84 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL248239 0.81 CYP1A2 (0.58) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL5830948 0.81 GPR84 (0.59) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111153805-A Cinacalcet intermediate, and synthesis method and application thereof 南京红杉生物科技有限公司 2020-05-15 CN claimed
EP-3527600-B1 ISOCYANATE COMPOSITION AND PRODUCTION METHOD FOR ISOCYANATE POLYMER ASAHI CHEMICAL IND (JP) 2025-07-09 EP disclosed
CN-117254107-A Composite additive suitable for electrolyte and application thereof 天目湖先进储能技术研究院有限公司 2023-12-19 CN disclosed
CN-114716296-B Efficient halogenation synthesis method of alkyl halide 润药仁智(北京)科技有限公司 2023-12-12 CN disclosed
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-04-13 US disclosed
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-10 US disclosed
CN-114716296-A Efficient halogenation synthesis method of alkyl halide 北京大学 2022-07-08 CN disclosed
CN-109803992-B Isocyanate composition and method for producing isocyanate polymer 旭化成株式会社 2022-05-24 CN disclosed
CN-109843963-B Isocyanate composition, method for producing isocyanate polymer, and isocyanate polymer 旭化成株式会社 2022-05-13 CN disclosed
CN-110225911-B Oxadiazolone transient receptor potential channel inhibitors 豪夫迈·罗氏有限公司 2022-04-05 CN disclosed
US-RE30279-E FROM ALKYL OR ARYL HALIDE WITH HALO-SUBSTITUTED TRIVALENT PHOSPHORUS COMPOUNDS AND PHOSPHORUS PENTASULFIDE OR -OXIDE STAUFFER CHEMICAL COMPANY (US) 1980-05-20 US disclosed
US-4191404-A Process for producing a pressure-sensitive carbonless copy sheet using microcapsules formed in situ in a radiation curable binder THE MEAD CORPORATION (US) 1980-03-04 US disclosed
US-4161570-A Process for the production of radiation curable coating compositions containing microcapsules THE MEAD CORPORATION (US) 1979-07-17 US disclosed
US-4133830-A RECYCLING BY-PRODUCTS TO SUCCESSIVE RUNS TO IMPROVE YIELD STAUFFER CHEMICAL COMPANY (US) 1979-01-09 US disclosed
US-4112138-A Manifold carbonless form and process for the production thereof THE MEAD CORPORATION (US) 1978-09-05 US disclosed
US-4110511-A PROCESS FOR THE PRODUCTION OF A PRESSURE-SENSITIVE CARBONLESS COPY SHEET USING MICROCAPSULES FORMED IN SITU IN A RADIATION CURABLE BINDER THE MEAD CORPORATION (US) 1978-08-29 US disclosed
US-4087532-A Analgesically useful 2-tetrahydrofurfuryl-5-lower alkyl-2-oxy-6,7-benzomorphans and salts thereof BOEHRINGER INGELHEIM GMBH (DT) 1978-05-02 US disclosed
US-4046819-A Alkylation of alkyl, cycloalkyl and aralkyl halides UOP INC. (US) 1977-09-06 US disclosed
US-3998895-A PREPARATION OF POLYCHLOROALKENYL AROMATIC COMPOUNDS UOP INC. (US) 1976-12-21 US disclosed
US-3982005-A ANALGESICS BOEHRINGER INGELHEIM GMBH (DT) 1976-09-21 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 (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-11548975-B2 Isocyanate composition and method for producing isocyanate polymer IDH3A, IDH2, IDH3B CYP1A2 195/4885CYP2C19 638/4885CYP2C9 111/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B CYP1A2 183/4885CYP2C19 639/4885CYP2C9 113/4885

“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.