SCHEMBL154352

SCHEMBL154352

CCc1ccc([Mg]Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
PLAU P00749 1/20 0.41
CYP2A6 P11509 2/20 0.41
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CA2 P00918 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IGF1R P08069 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
LMNA P02545 1/20 0.37
TRPA1 O75762 1/20 0.36
MGLL Q99685 2/20 0.35

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
Bromide SCHEMBL1271257 0.97 TP53 (0.42) TP53TSHRMAPK1ATMTDP1
SCHEMBL3044257 0.80 LPL (0.45) L3MBTL1TAAR1LPLLIPGALDH1A1
SCHEMBL7766443 0.78 LPL (0.43) L3MBTL1TAAR1LPLLIPGALDH1A1
SCHEMBL337129 0.77 CA2 (0.48) TP53LPLLIPGALDH1A1CA2
SCHEMBL5487650 0.76
SCHEMBL36295 0.76 TP53 (0.67) TP53TSHRMAPK1ATMTDP1
SCHEMBL9720081 0.75 ESR1 (0.53) TP53TSHRLPLLIPGALDH1A1
SCHEMBL4164089 0.74 IDO1 (0.46) IDO1
SCHEMBL11799466 0.74 CA1 (0.38) CA2
SCHEMBL10571328 0.74 MAOB (0.39) TP53LPLLIPGALDH1A1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835755-A Bisphosphinic amide metal complex catalyst for catalytic polymerization and preparation method thereof 常州德能新材料有限公司 2022-08-02 CN claimed
WO-2021012479-A1 HYDROGENATED CYCLIC [8] AROMATIC HYDROCARBON COMPOUND AND PREPARATION METHOD THEREFOR 清华大学 2021-01-28 WO claimed
WO-2021012478-A1 HYDROGENATION ANNULE [12] AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR 清华大学 2021-01-28 WO claimed
CN-110372468-B Hydrogenated endless [8] arene compound and preparation method thereof 清华大学 2020-11-10 CN claimed
CN-110372469-B Hydrogenated cyclo [12] arene compound and preparation method thereof 清华大学 2020-09-08 CN claimed
CN-110372468-A Hydrogenate annulus [8] aromatic compound and preparation method thereof 清华大学 2019-10-25 CN claimed
CN-110372469-A Hydrogenate annulus [12] aromatic compound and preparation method thereof 清华大学 2019-10-25 CN claimed
US-7273948-B2 Process of preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS, INC. (US) 2007-09-25 US claimed
EP-1594824-A4 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS INC (US) 2007-04-04 EP claimed
EP-1594824-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF Atherogenics, Inc. (US) 2005-11-16 EP claimed
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof CRABTREE ACQUISITION CO, LLC 2004-10-14 US claimed
WO-2004062622-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS, INC. (US) 2004-07-29 WO claimed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
US-20230104311-A1 NOVEL 6-SUBSTITUTED 7-DEAZAPURINES AND CORRESPONDING NUCLEOSIDES AS MEDICAMENTS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-04-06 US disclosed
EP-4106763-A1 NOVEL 6-SUBSTITUTED 7-DEAZAPURINES AND CORRESPONDING NUCLEOSIDES AS MEDICAMENTS Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2022-12-28 EP disclosed
CN-115515593-A Novel 6-substituted 7-deazapurines and corresponding nucleosides as medicaments 勒芬天主教大学 2022-12-23 CN disclosed
EP-0035228-A1 Tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 EP disclosed
US-4198130-A Liquid crystal mixtures HOFFMANN-LA ROCHE INC. (US) 1980-04-15 US disclosed
US-3974143-A (16α)-16,17-ALKYLIDENEBIS(OXY)-3-ARYLPREGNA-2,4-TRIEN-20-ONES G. D. SEARLE & CO. (US) 1976-08-10 US disclosed
US-3965180-A CNS DEPRESSANT THE UPJOHN COMPANY (US) 1976-06-22 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 (3 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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 TP53 3775/4885TSHR 475/4885MAPK1 2366/4885
US-20230104311-A1 NOVEL 6-SUBSTITUTED 7-DEAZAPURINES AND CORRESPONDING NUCLEOSIDES AS MEDICAMENTS ADA, ADAR, TPMT TP53 3503/4885TSHR 3631/4885MAPK1 3496/4885
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof NR3C2, MGLL, GCG TP53 4524/4885TSHR 1000/4885MAPK1 484/4885

“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.