SCHEMBL112083

SCHEMBL112083

CC(=O)c1c(C)cc(C(C)(C)C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
RXRB P28702 6/20 0.42
HTR1D P28221 2/20 0.39
HTR1B P28222 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 1/20 0.39
RXRA P19793 5/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
RXRG P48443 2/20 0.38
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL501930 0.81 RXRB (0.50) POLBGABRA1GABRB2RXRBHTR1D
SCHEMBL501929 0.81 POLB (0.44) POLBGABRA1GABRB2RXRBHTR1D
SCHEMBL28034201 0.79 POLB (0.48) POLBGABRA1GABRB2RXRBHTR1D
SCHEMBL28949671 0.79 POLB (0.43) POLBGABRA1GABRB2RXRBHTR1D
SCHEMBL14825538 0.79 GLRA3 (0.42) GABRA1GABRB2RXRBMEN1KMT2A
SCHEMBL23364827 0.79 CES2 (0.46) RXRBMEN1KMT2AHPGDCYP3A4
Dinitrophenylene SCHEMBL27553163 0.79 ALDH1A1 (0.54) POLBMEN1KMT2AHPGDALDH1A1
SCHEMBL22554339 0.78 NPC1 (0.35) MEN1KMT2AHPGDALDH1A1TSHR
SCHEMBL698413 0.77 KDM4E (0.46) MEN1KMT2AHPGDCYP3A4ALDH1A1
SCHEMBL24090020 0.77 ALDH1A1 (0.41) POLBGABRA1GABRB2RXRBHTR1D

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 1369 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12286558-B2 UV-curable anti-smudge and anti-graffiti compositions QUEEN'S UNIVERSITY AT KINGSTON (CA) 2025-04-29 US claimed
CN-111051483-B Esters and ethers of 2, 4-tetramethyl cyclobutane-1, 3-diol as fragrance chemicals 巴斯夫欧洲公司 2025-01-24 CN claimed
US-12187978-B2 Use of (3-acetoxy-2,2-dimethyl-propyl) acetate in combination with (3-hydroxy-2,2-dimethyl-propyl) acetate as an aroma chemical BASF SE (DE) 2025-01-07 US claimed
US-12134702-B2 Compositions and methods for extrusion-based 3D printing of soft materials BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-11-05 US claimed
CN-116253643-A Safe production method of musk ketone 成都百泉生物医药科技有限公司 2023-06-13 CN claimed
CN-115745763-A Method for synthesizing 4-tert-butyl-2, 6-dimethylacetophenone by adopting tubular reactor 山东兴文工业技术研究院有限公司 2023-03-07 CN claimed
US-20220364016-A1 PERFUME OIL MIXTURE SYMRISE AG (DE) 2022-11-17 US claimed
EP-4025675-A1 A PERFUME OIL MIXTURE Symrise AG (DE) 2022-07-13 EP claimed
CN-114671765-A Ketone musk produced safely and preparation method thereof 太仓又绿日化材料有限公司 2022-06-28 CN claimed
EP-4013438-A1 HERBAL PREPARATION FOR STIMULATION OF HAIR GROWTH, CONTROL OF HAIR FALL, DANDRUFF AND INFECTIONS THEREOF USING AGERATUM SPP GE Nutrients, Inc. (US) 2022-06-22 EP claimed
WO-2011015579-A1 EVM GRANULATED MATERIAL AS EMBEDDING MATERIAL FOR SOLAR MODULES, METHOD FOR ITS PRODUCTION, ADHESIVE FOIL AS WELL AS A SOLAR MODULE, METHOD FOR ITS PRODUCTION AND PRODUCTION DEVICE LANXESS DEUTSCHLAND GMBH (DE) 2011-02-10 WO claimed
EP-1948773-A1 FRAGRANT CONSUMER PRODUCTS COMPRISING OXIDIZING AGENTS Henkel AG & Co. KGaA (DE) 2008-07-30 EP claimed
WO-2007054177-A1 FRAGRANT CONSUMER PRODUCTS COMPRISING OXIDIZING AGENTS HENKEL AG & CO. KGAA (DE) 2007-05-18 WO claimed
US-6939845-B2 Fragrance precursors GIVAUDAN SA (CH) 2005-09-06 US claimed
EP-1167362-B1 Fragance precursors GIVAUDAN SA (CH) 2005-05-25 EP claimed
US-6492563-B2 PROVIDES NON-VOLATILE PRECURSORS FOR VOLATILE FRAGRANT ESTERS FOR USE IN DETERGENT, A FABRIC SOFTENER, A WINDOW CLEANER, A HARD SURFACE CLEANER, AN ALL PURPOSE CLEANER, A FURNITURE POLISH, A SHAMPOO, A CONDITIONER, AN HAIRSPRAY, A COSMETIC GIVAUDAN SA (CH) 2002-12-10 US claimed
US-20020077508-A1 Fragrance precursors GIVAUDAN SA (CH) 2002-06-20 US claimed
US-20020035055-A1 Fragrance precursors GIVAUDAN SA (CH) 2002-03-21 US claimed
EP-1167362-A1 Fragance precursors Givaudan SA (CH) 2002-01-02 EP claimed
EP-1146033-A2 Fragrance precursors Givaudan SA (CH) 2001-10-17 EP 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 (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-20020077508-A1 Fragrance precursors ADH5, FAAH, CBR3 POLB 3864/4885GABRA1 1704/4885GABRB2 2046/4885
US-20020035055-A1 Fragrance precursors FAAH2, FDPS, CYP51A1 POLB 3078/4885GABRA1 3065/4885GABRB2 2399/4885

“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.