SCHEMBL7199129

SCHEMBL7199129

C#CC(O)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.39
ACHE P22303 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX5 P09917 1/20 0.34
TSHR P16473 1/20 0.33
LMNA P02545 3/20 0.33
FFAR1 O14842 1/20 0.33
MLKL Q8NB16 1/20 0.33
MAPT P10636 1/20 0.33
SRD5A2 P31213 1/20 0.32

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
SCHEMBL7199108 0.94 FFAR1 (0.40) CHRNA7ACHETDP1ESR1ESR2
SCHEMBL29184903 0.87 ESR1 (0.46) ESR1ESR2TSHR
SCHEMBL7203087 0.81 TYR (0.40) ESR1ESR2ALDH1A1SMN1; SMN2ALOX5
SCHEMBL9547873 0.80 CHRNA7 (0.42) CHRNA7ACHETDP1ALDH1A1SMN1; SMN2
SCHEMBL6962580 0.78 ESR1 (0.62) TDP1ESR1ESR2ALDH1A1SMN1; SMN2
SCHEMBL12469442 0.76 AOC3 (0.38) TDP1ESR1ESR2ALDH1A1SMN1; SMN2
SCHEMBL17382854 0.76 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL132554 0.76 AOC3 (0.38) TDP1ESR1ESR2ALDH1A1SMN1; SMN2
SCHEMBL1200882 0.76 TSHR (0.60) CHRNA7ACHETDP1ESR1ESR2
SCHEMBL6957145 0.76 MAPT (0.38) ACHETDP1ESR1ESR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115806471-A Preparation method for preparing substituted propargyl alcohol by catalyzing paraformaldehyde and alkyne with alkali 延安大学 2023-03-17 CN disclosed
US-20220144883-A1 METHODS OF MODIFYING PHOSPHORYLATED OR SULFATED TYROSINE RESIDUES OF POLYPEPTIDES PHOSFISH LLC 2022-05-12 US disclosed
US-20220127215-A1 A COPPER-CATALYZED METHOD AND APPLICATION FOR PREPARING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN AS AN OXIDANT FUDAN UNIVERSITY (CN) 2022-04-28 US disclosed
CN-112979610-B Diacetylene diol compound, and synthetic method and application thereof 河南农业大学 2022-03-25 CN disclosed
EP-3919469-A1 COPPER-CATALYZED METHOD FOR PREPARING ALDEHYDE OR KETONE COMPOUND BY OXIDIZING ALCOHOL BY USING OXYGEN AS OXIDANT, AND APPLICATION THEREOF Fudan University (CN) 2021-12-08 EP disclosed
CN-113698411-A Benzo [ b ] furo [2,3-d ] azepine derivative and synthesis method and application thereof 临沂大学 2021-11-26 CN disclosed
WO-2020156238-A1 COPPER-CATALYZED METHOD FOR PREPARING ALDEHYDE OR KETONE COMPOUND BY OXIDIZING ALCOHOL BY USING OXYGEN AS OXIDANT, AND APPLICATION THEREOF 复旦大学 2020-08-06 WO disclosed
US-10383831-B2 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use Temple University—Of the Commonwealth System of Higher Education (US) 2019-08-20 US disclosed
US-20180243239-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2018-08-30 US disclosed
WO-2017023912-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-02-09 WO disclosed
US-6605730-B2 3-(2-Thienyl)-5-phenyl-1H-pyrazole compounds of given formula NIHON BAYER AGROCHEM K.K. (JP) 2003-08-12 US disclosed
US-20030028034-A1 Nematicidal pyrazoles WADA KATSUAKI (JP) 2003-02-06 US disclosed
US-6310049-B1 3-(2-THIENYL),5-(SUBSTITUTED PHENYL)-1H-PYRAZOLES AND 3-(SUBSTITUTED PHENYL),5-(2-THIENYL)-1H-PYRAZOLES OF GIVEN FORMULA; ANTHELMINTICS NIHON BAYER AGROCHEM K.K. (JP) 2001-10-30 US disclosed
EP-1104418-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2001-06-06 EP disclosed
WO-2000009500-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-24 WO disclosed
EP-0360091-B1 PROCESS FOR THE PREPARATION OF ALKYL-SUBSTITUTED CINNAMIC ALDEHYDES BASF Aktiengesellschaft (DE) 1992-09-02 EP disclosed
US-4996365-A Preparation of alkyl-substituted cinnamaldehydes BASF AKTIENGESELLSCHAFT (DE) 1991-02-26 US disclosed
EP-0360091-A2 Process for the preparation of alkyl-substituted cinnamic aldehydes BASF Aktiengesellschaft (DE) 1990-03-28 EP disclosed
US-4568749-A Certain 5-aryl-2-[(4-aryl)-4-hydroxybutyn-2-yl]-1,2,3,4-γ-carbolines PFIZER INC. (US) 1986-02-04 US disclosed
US-4510308-A Process for preparing carboline derivatives PFIZER INC. (US) 1985-04-09 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-20220144883-A1 METHODS OF MODIFYING PHOSPHORYLATED OR SULFATED TYROSINE RESIDUES OF POLYPEPTIDES PTMS, ACP1, SRMS CHRNA7 4550/4885ACHE 4641/4885TDP1 1062/4885
US-10383831-B2 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use CCNY, STS, ARSA CHRNA7 3674/4885ACHE 3923/4885TDP1 2636/4885
US-20220127215-A1 A COPPER-CATALYZED METHOD AND APPLICATION FOR PREPARING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN AS AN OXIDANT SOD1, ALDH2, AOC2 CHRNA7 1805/4885ACHE 1139/4885TDP1 4348/4885
US-20180243239-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE CCNY, STS, ARSA CHRNA7 3674/4885ACHE 3923/4885TDP1 2636/4885
US-20030028034-A1 Nematicidal pyrazoles CBR3, CBR1, CCR4 CHRNA7 1206/4885ACHE 1338/4885TDP1 4352/4885

“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.