SCHEMBL49949

SCHEMBL49949

[CH2]c1ccc(C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.46
HTT P42858 2/20 0.42
IDO1 P14902 2/20 0.41
MGLL Q99685 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 3/20 0.38
HIF1A Q16665 2/20 0.38
CYP2D6 P10635 1/20 0.38
TRPA1 O75762 1/20 0.37
PTGS1 P23219 1/20 0.37
CACNA1C Q13936 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.37
ADRB2 P07550 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
NOTUM Q6P988 2/20 0.35
USP5 P45974 1/20 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
SCHEMBL2092549 0.92 KIF11 (0.44) TYRHTTIDO1MGLLLMNA
Magnesium Chloride Anhydrous SCHEMBL28902368 0.89 TYR (0.39) TYRHTTIDO1MGLLLMNA
SCHEMBL104124 0.83 TYR (0.58) TYRHTTIDO1MGLLLMNA
SCHEMBL28912214 0.79 TYR (0.55) TYRHTTIDO1MGLLLMNA
Water SCHEMBL29278796 0.79 TYR (0.55) TYRHTTIDO1MGLLLMNA
Ammonia Solution, Strong SCHEMBL7550588 0.79 TYR (0.55) TYRHTTIDO1MGLLLMNA
Water SCHEMBL11726962 0.79 TYR (0.55) TYRHTTIDO1MGLLLMNA
SCHEMBL6203905 0.79 TYR (0.55) TYRHTTIDO1MGLLLMNA
SCHEMBL17497526 0.77 ADRB2 (0.33) MAPK1ADRB2
SCHEMBL11778238 0.77 ESR1 (0.31)

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 1994 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024118535-A1 SYNTHESIS AND PURIFICATION OF SUBSTITUTED PYRAZINES MEDIBEACON INC. (US) 2024-06-06 WO claimed
US-20240182430-A1 SYNTHESIS OF SUBSTITUTED PYRAZINES MEDIBEACON INC. 2024-06-06 US claimed
CN-118027102-A Ruthenium complex with enaminone structure, and preparation method and application thereof 中国科学院理化技术研究所 2024-05-14 CN claimed
EP-4355728-A1 FRAGRANCE COMPOUNDS Givaudan SA (CH) 2024-04-24 EP claimed
CN-117486780-A 1-benzyl isatin derivative and preparation method and application thereof 武汉大学人民医院(湖北省人民医院) 2024-02-02 CN claimed
CN-117500783-A Perfume compounds 奇华顿股份有限公司 2024-02-02 CN claimed
CN-116640106-A Phenylpiperazine compound and preparation method and application thereof 郑州大学 2023-08-25 CN claimed
EP-3564282-B1 CURABLE COMPOSITION FOR USE IN A HIGH TEMPERATURE PHOTOPOLYMERISATION METHOD ON A LITHOGRAPHY BASIS AND PROCESS FOR THE PREPARATION OF CROSS-LINKED POLYMERS THEREFROM ALIGN TECHNOLOGY INC (US) 2023-06-07 EP claimed
CN-115960056-A Novel method for synthesizing para-substituted aniline compound 复旦大学 2023-04-14 CN claimed
CN-111484438-B Polysubstituted indole derivative and metal catalysis preparation method thereof 湖北科技学院 2023-02-03 CN claimed
US-5534381-A POLYMERS FOR LITHOGRAPHIC PRINTING PLATES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-07-09 US claimed
EP-0714391-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-06-05 EP claimed
WO-1995005376-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-02-23 WO claimed
CN-1087092-A Novel 7 beta-substituted-4-aza-5 alpha-androstan-3-ones as 5 alpha-reductase inhibitors MERCK & CO INC (US) 1994-05-25 CN claimed
US-4927734-A CONTAINING A FORMYLHYDRAZINOPYRIDINE COMPOUND DAINIPPON INK. AND CHEMICALS, INC. (JP) 1990-05-22 US claimed
EP-0322553-A1 Silver halide photographic light-sensitive material and a process for forming a high contrastphotographic image DAINIPPON INK AND CHEMICALS, INC. (JP) 1989-07-05 EP claimed
US-4707161-A Lightfastness of dyeings obtained with acid dyes or metal complex dyes on polyamides: treatment with copper hydroxamates BASF AKTIENGESELLSCHAFT (DE) 1987-11-17 US claimed
EP-0116370-B1 METHOD FOR PREPARATION OF 8-METHOXY-4,8-DIMETHYL-1-(4-ISOPROPYLPHENYL)-NONANE STAUFFER CHEMICAL COMPANY (US) 1986-07-23 EP claimed
EP-0034430-B1 PROCESS FOR PREPARING ARYLACETALDEHYDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-05 EP claimed
US-4308273-A 1,6-Naphthyridine derivatives, and antidinic and cerebral circulation improver containing such derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-12-29 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 (1 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-20240182430-A1 SYNTHESIS OF SUBSTITUTED PYRAZINES DHPS, PFAS, NISCH TYR 28/4885HTT 1911/4885IDO1 2071/4885

“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.