SCHEMBL7828756

SCHEMBL7828756

O=C(O)C1(Br)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
FFAR3 O14843 1/20 0.35
AKR1C1 Q04828 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
CACNA2D1 P54289 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6909126 0.97 CYP2C19 (0.41) CYP2C19FFAR3AKR1C1USP2ALDH1A1
SCHEMBL6914493 0.97 CYP2C19 (0.41) CYP2C19FFAR3AKR1C1USP2ALDH1A1
Hydrochloric Acid SCHEMBL8390458 0.97 CYP2C19 (0.41) CYP2C19FFAR3AKR1C1USP2ALDH1A1
SCHEMBL6907967 0.97 CYP2C19 (0.41) CYP2C19FFAR3AKR1C1USP2ALDH1A1
SCHEMBL6914515 0.97 CYP2C19 (0.41) CYP2C19FFAR3AKR1C1USP2ALDH1A1
SCHEMBL6913708 0.97 CYP2C19 (0.41) CYP2C19FFAR3AKR1C1USP2ALDH1A1
SCHEMBL6907695 0.97 CYP2C19 (0.41) CYP2C19FFAR3AKR1C1USP2ALDH1A1
SCHEMBL6908806 0.97 CYP2C19 (0.41) CYP2C19FFAR3AKR1C1USP2ALDH1A1
SCHEMBL6914513 0.97 CYP2C19 (0.41) CYP2C19FFAR3AKR1C1USP2ALDH1A1
SCHEMBL1605123 0.97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4197374-A FOAMS, FILMS, FIBERS, COATINGS, ELASTOMERS BASF WYANDOTTE CORPORATION (US) 1980-04-08 US claimed
US-20240027902-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
US-20230365558-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-11-16 US disclosed
US-20230365558-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-11-16 US disclosed
US-11720020-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-08 US disclosed
US-11720020-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-08 US disclosed
EP-4219461-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF Medshine Discovery Inc. (CN) 2023-08-02 EP disclosed
WO-2022063094-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF 南京明德新药研发有限公司 2022-03-31 WO disclosed
EP-3241822-B1 URAT1 INHIBITOR NIPPON CHEMIPHAR CO (JP) 2021-03-24 EP disclosed
CN-107108478-B URAT1 inhibitors 日本化学药品株式会社 2020-04-24 CN disclosed
EP-0147053-A1 A catalyst and a process for polymerization of olefins Tonen Corporation (JP) 1985-07-03 EP disclosed
EP-0145368-A2 Process for producing propylene block copolymers TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1985-06-19 EP disclosed
EP-0141500-A1 Catalyst component for polymerization of olefins TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1985-05-15 EP disclosed
EP-0140536-A1 Catalyst component for polymerization of olefins TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1985-05-08 EP disclosed
EP-0136112-A2 Catalyst component for polymerization of olefins TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1985-04-03 EP disclosed
EP-0136113-A2 Catalyst component for polymerization of olefins TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1985-04-03 EP disclosed
EP-0044635-A1 Catalyst components for polymerization of alpha-olefins and a method for using them TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1982-01-27 EP disclosed
US-4197374-A FOAMS, FILMS, FIBERS, COATINGS, ELASTOMERS BASF WYANDOTTE CORPORATION (US) 1980-04-08 US disclosed
US-4042571-A Fire-retardant polyamides from naphthalene dicarboxylic reactant and halogenated carboxylic reactant TEIJIN LIMITED (JA) 1977-08-16 US disclosed
US-3954730-A ANTIBIOTICS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-04 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 (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-20230365558-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF CYP3A7, UGT2B7, SFPQ CYP2C19 50/4885FFAR3 1670/4885AKR1C1 3839/4885

“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.