SCHEMBL1125635

SCHEMBL1125635

Cc1ccc([Mg]Br)cc1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
ACHE P22303 1/20 0.32
POLB P06746 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL1138476 0.78 CYP3A4 (0.46) ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL30702572 0.78 TSHR (0.35) TSHRCYP3A4POLBSMN1; SMN2
SCHEMBL1021682 0.78 TSHR (0.35) TSHRCYP3A4POLBSMN1; SMN2
SCHEMBL635149 0.78 HDAC1 (0.37) ALDH1A1TSHRACHEPOLBHTT
SCHEMBL10318844 0.78 ALDH1A1 (0.43) ALDH1A1TSHRTDP1PRSS1PRSS2
SCHEMBL8587845 0.75 ALDH1A1 (0.39) ALDH1A1TSHRCYP3A4
SCHEMBL28996996 0.75 ACHE (0.35) ALDH1A1CYP3A4ACHE
SCHEMBL2336556 0.74 ALDH1A1 (0.40) ALDH1A1TSHRTDP1PRSS1PRSS2
SCHEMBL6049118 0.73 NOTUM (0.36)
SCHEMBL28597745 0.70 ALDH1A1 (0.52) ALDH1A1TSHRTDP1PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119859156-A Boron-nitrogen organic compound, preparation method and application thereof, composition and photoelectric device 广东聚华印刷显示技术有限公司 2025-04-22 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
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
CN-119859156-A Boron-nitrogen organic compound, preparation method and application thereof, composition and photoelectric device 广东聚华印刷显示技术有限公司 2025-04-22 CN disclosed
CN-119080771-A N-heterocyclic carbene compounds and application thereof 中国科学院上海有机化学研究所 2024-12-06 CN disclosed
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
CN-117105892-A Synthesis method of 3,4,3 ', 4' -p-terphenyl tetracarboxylic dianhydride 大连新阳光材料科技有限公司 2023-11-24 CN disclosed
CN-116547272-A Process for producing ketone derivative 株式会社德山 2023-08-04 CN disclosed
EP-0008164-B1 PHOSPHINITES AND PHOSPHONITES, THEIR PREPARATION AND USE AS ACRYLONITRILE DIMERISATION CATALYSTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-04-20 EP disclosed
US-4238422-A CATALYSTS FOR DIMERIZATION OF ACRYLONITRILE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-12-09 US disclosed
EP-0008164-A1 Phosphinites and phosphonites, their preparation and use as acrylonitrile dimerisation catalysts IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-02-20 EP disclosed
US-4188396-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1980-02-12 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 (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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 ALDH1A1 2743/4885TSHR 475/4885TDP1 4598/4885
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof NR3C2, MGLL, GCG ALDH1A1 2574/4885TSHR 1000/4885TDP1 4671/4885

“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.