SCHEMBL3202679

SCHEMBL3202679

CC(C)(C)c1ccc(Br)cc1.[MgH2]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
LMNA P02545 1/20 0.50
TYR P14679 1/20 0.50
CYP2A6 P11509 1/20 0.47
HDAC1 Q13547 1/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
ALDH1A1 P00352 5/20 0.43
KIF11 P52732 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
SLC22A3 O75751 1/20 0.39

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
SCHEMBL5758 0.97 TSHR (0.55) TSHRLMNATYRCYP2A6HDAC1
Methane SCHEMBL27627147 0.94 TSHR (0.52) TSHRLMNATYRCYP2A6HDAC1
Water SCHEMBL28307832 0.94 TSHR (0.52) TSHRLMNATYRCYP2A6HDAC1
Methoxymethane SCHEMBL28225538 0.89 TSHR (0.48) TSHRLMNATYRCYP2A6HDAC1
SCHEMBL12367606 0.89 KIF11 (0.56) TSHRLMNATYRCYP2A6HDAC1
SCHEMBL177404 0.89 KIF11 (0.56) TSHRLMNATYRCYP2A6HDAC1
Bromobenzene SCHEMBL9230161 0.87 ALDH1A1 (0.55) TSHRLMNATYRCYP2A6HDAC1
SCHEMBL21340595 0.85 KIF11 (0.46) TSHRLMNATYRCYP2A6HDAC1
SCHEMBL1979907 0.83 CYP1A2 (0.53) TSHRLMNATYRHDAC1ALDH1A1
SCHEMBL9458566 0.83 MAOA (0.47) TSHRLMNATYRHDAC1ALDH1A1

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 54 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
CN-119462532-A Near infrared material suitable for solution processing and preparation method and application thereof 广东工业大学 2025-02-18 CN claimed
CN-118908996-A A composition containing C (sp2) P bond or C (sp)3) Process for preparing organic phosphine compound of-P bond 烟台大学 2024-11-08 CN claimed
CN-120757479-A Preparation method of 4-tert-butylphenyl-diphenyl sulfonium p-toluenesulfonate 河北圣泰材料股份有限公司 2025-10-10 CN disclosed
CN-116410088-B Synthesis method of alpha-aryl propionate compound 南京工业大学 2025-05-02 CN disclosed
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-119798292-A Polycyclic fusion molecule containing oxygen, boron and nitrogen coordination bonds and preparation method thereof 华侨大学 2025-04-11 CN disclosed
CN-119462532-A Near infrared material suitable for solution processing and preparation method and application thereof 广东工业大学 2025-02-18 CN disclosed
CN-115362153-B Azaspiro compounds as monoacylglycerol lipase modulators 詹森药业有限公司 2025-01-07 CN disclosed
CN-118908996-A A composition containing C (sp2) P bond or C (sp)3) Process for preparing organic phosphine compound of-P bond 烟台大学 2024-11-08 CN disclosed
CN-113896607-B Olefin oligomerization process using a catalyst comprising a chromium complex having a phosphacycle-containing ligand 陶氏环球技术有限责任公司 2024-04-16 CN disclosed
US-20060009597-A1 Catalysts for olefin polymerization or oligomerization DUPONT POLYMERS, INC. 2006-01-12 US disclosed
EP-1192165-B1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-09-22 EP disclosed
US-6713471-B1 SUCH AS TERT-BUTYL-1-METHYL-6,7,9,12-TETRAHYDRO-5H-PYRIDO-(4,3-B)(1,4) THIAZEPINO(2,3,4-HI)INDOLE-11(10H)-CARBOXYLATE; SEROTONIN AGONISTS AND ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-30 US disclosed
US-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2003-12-18 US disclosed
EP-1192165-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-04-03 EP disclosed
WO-2000077010-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 WO disclosed
EP-0259972-B1 HETEROCYCLIC PROPENE AMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS LILLY INDUSTRIES LIMITED (GB) 1993-07-14 EP disclosed
US-4983619-A Leukotriene antagonists LILLY INDUSTRIES LIMITED (GB) 1991-01-08 US disclosed
EP-0259972-A2 Heterocyclic propene amide derivatives, processes for their preparation and their use as pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1988-03-16 EP 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-20060009597-A1 Catalysts for olefin polymerization or oligomerization PPOX, HMOX1, NOD2 TSHR 3796/4885LMNA 3782/4885TYR 1391/4885
US-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives CNR2, CNR1, HNMT TSHR 3507/4885LMNA 1553/4885TYR 140/4885

“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.