SCHEMBL144630

SCHEMBL144630

C=CCc1ccccc1C(N)(CC=C)CC=C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
HTT P42858 1/20 0.35
AKR1B1 P15121 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
VCAM1 P19320 1/20 0.32
KDM4E B2RXH2 1/20 0.32
IDO1 P14902 1/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
MAPT P10636 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
Hydrochloric Acid SCHEMBL668040 0.98 GABRA1 (0.38) GABRA1GABRB2HTTAKR1B1ALDH1A1
Water SCHEMBL2836979 0.98 GABRA1 (0.38) GABRA1GABRB2HTTAKR1B1ALDH1A1
Bromide SCHEMBL4908296 0.98 GABRA1 (0.38) GABRA1GABRB2HTTAKR1B1ALDH1A1
SCHEMBL10614506 0.84 GABRA1 (0.40) GABRA1GABRB2AKR1B1MAPT
SCHEMBL11667013 0.84 HTT (0.41) HTTALDH1A1TSHRMAPT
Hydrochloric Acid SCHEMBL10751108 0.83 GABRA1 (0.39) GABRA1GABRB2AKR1B1MAPT
SCHEMBL11056233 0.82 GABRA1 (0.41) GABRA1GABRB2HTTAKR1B1ALDH1A1
Iodide SCHEMBL19307326 0.81 GABRA1 (0.36) GABRA1GABRB2HTTALDH1A1TSHR
Hydrochloric Acid SCHEMBL11501232 0.80 GABRA1 (0.39) GABRA1GABRB2AKR1B1ALDH1A1TSHR
SCHEMBL278267 0.79 GABRA1 (0.40) GABRA1GABRB2ALDH1A1TSHRICAM1

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 1673 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116368239-A Detection and removal of polyvinylsulfonates from biomolecular compositions 美国安进公司 2023-06-30 CN claimed
US-11167276-B2 Zincoaluminosilicates with CHA topologies and methods of making and using the same CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-11-09 US claimed
US-20210164112-A1 CORROSION INHIBITION TREATMENT FOR AGGRESSIVE FLUIDS CHEMTREAT, INC. 2021-06-03 US claimed
US-10399917-B2 Process for the preparation of organic bromides TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2019-09-03 US claimed
EP-2998243-B1 FOUL-ODOR-SEALING BAG KURIHARA KAZUYUKI (JP) 2019-07-31 EP claimed
EP-1353631-B2 COSMETIC COMPOSITIONS CONTAINING A FRUCTAN, A POLYSACCHARIDE AND A BENEFICIAL AGENT, AND USES THEREOF OREAL (FR) 2019-07-17 EP claimed
US-20180273450-A1 PROCESS FOR THE PREPARATION OF ORGANIC BROMIDES TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2018-09-27 US claimed
US-20180154342-A1 PROCESSES FOR PREPARING ZINCOALUMINOSILICATES WITH AEI, CHA, AND GME TOPOLOGIES AND COMPOSITIONS DERIVED THEREFROM CALIFORNIA INSTITUTE OF TECHNOLOGY 2018-06-07 US claimed
WO-2017060905-A1 PROCESS FOR THE PREPARATION OF ORGANIC BROMIDES TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2017-04-13 WO claimed
WO-2017060906-A1 PROCESS FOR THE PREPARATION OF ORGANIC HALIDES TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2017-04-13 WO claimed
EP-0279437-B1 PROCESS FOR THE PREPARATION OF A BLUE ANTHRAQUINOIC DISPERSE DYE BASF Aktiengesellschaft (DE) 1991-10-16 EP claimed
US-4904796-A Preparation of a blue anthraquinonoid disperse dye of 1,4-naphthoquinone-[2,]-phthalimides BASF AKTIENGESELLSCHAFT (DE) 1990-02-27 US claimed
EP-0208265-B1 1-Oxa-3,8-diaza-4-oxo-spiro[4,5]decane compounds and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP claimed
US-4828954-A COUPLER IS SILICON COMPOUND CONTAINING AN AMMONIUM SALT STRUCTURE FUJI XEROX CO., LTD. (JP) 1989-05-09 US claimed
WO-1989000559-A1 9-HALOGEN-(Z)-PROSTAGLANDIN DERIVATIVES, PROCESS FOR MANUFACTURING THEM, AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1989-01-26 WO claimed
EP-0279437-A2 Process for the preparation of a blue anthraquinoic disperse dye BASF Aktiengesellschaft (DE) 1988-08-24 EP claimed
US-4330482-A Process for the preparation of halogenoalkenes BAYER AKTIENGESELLSCHAFT (DE) 1982-05-18 US claimed
US-4299771-A CYANATION OF 1,4-DIAMINOANTHRAQUINONES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-11-10 US claimed
US-4212808-A CONDENSING 2,3-BIS-HALOMETHYLOXIRANE AND SLATS OR CATECHOL CIBA-GEIGY CORPORATION (US) 1980-07-15 US claimed
US-4189582-A Process for upgrading the color value of 3,4,9,10-tetracarboxylic acid N,N'-bis-methylimide BASF AKTIENGESELLSCHAFT (DE) 1980-02-19 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 (4 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-11167276-B2 Zincoaluminosilicates with CHA topologies and methods of making and using the same GMDS, AOC1, LSS GABRA1 2547/4885GABRB2 3620/4885HTT 3063/4885
US-10399917-B2 Process for the preparation of organic bromides BLVRB, CBR3, TBCB GABRA1 27/4885GABRB2 24/4885HTT 2182/4885
US-20180273450-A1 PROCESS FOR THE PREPARATION OF ORGANIC BROMIDES BLVRB, CBR3, TBCB GABRA1 27/4885GABRB2 24/4885HTT 2182/4885
US-20180154342-A1 PROCESSES FOR PREPARING ZINCOALUMINOSILICATES WITH AEI, CHA, AND GME TOPOLOGIES AND COMPOSITIONS DERIVED THEREFROM LSS, AGPS, GMNN GABRA1 2259/4885GABRB2 3501/4885HTT 3978/4885

“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.