SCHEMBL243712

SCHEMBL243712

CC(C)(C)c1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HPGD P15428 4/20 0.52
HSD17B10 Q99714 4/20 0.52
TSHR P16473 4/20 0.52
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP1A1 P04798 2/20 0.52
CYP1B1 Q16678 2/20 0.52
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
AHR P35869 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GABRA1 P14867 1/20 0.37
GABRB2 P47870 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
Pyrene SCHEMBL28242628 1.00 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10TSHRCYP1A2
SCHEMBL28242629 1.00 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10TSHRCYP1A2
SCHEMBL6354584 0.90 GABRA1 (0.43) ALDH1A1HPGDHSD17B10TSHRCYP1A2
SCHEMBL925882 0.83 CYP1A2 (0.42) ALDH1A1HPGDHSD17B10TSHRCYP1A2
SCHEMBL15295067 0.82 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10TSHRCYP1A2
SCHEMBL9749684 0.82 HPGD (0.44) ALDH1A1HPGDHSD17B10TSHRCYP1A2
SCHEMBL133411 0.80 CYP1A2 (0.39) ALDH1A1HPGDHSD17B10TSHRCYP1A2
SCHEMBL12265723 0.80 CYP1A2 (0.40) ALDH1A1HPGDHSD17B10TSHRCYP1A2
SCHEMBL29227379 0.79 GABRA1 (0.58) ALDH1A1HPGDHSD17B10TSHRCYP1A2
SCHEMBL15169264 0.79 GABRA1 (0.36) ALDH1A1HPGDHSD17B10TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116535293-A Y-type bromopyrene intermediate and derivative, preparation method and application thereof 广东工业大学 2023-08-04 CN claimed
CN-111848413-B Pyrenyl derivatives modified along short axis as well as preparation method and application thereof 山东理工大学 2022-07-15 CN claimed
CN-111848413-A Pyrenyl derivatives modified along short axis as well as preparation method and application thereof 山东理工大学 2020-10-30 CN claimed
JP-4182441-A None JP disclosed
CN-118878591-A Iron-nitrogen heterocyclic carbene compounds, pharmaceutically acceptable salts thereof and application of composition in photodynamic therapy 武汉大学 2024-11-01 CN disclosed
CN-117820321-A Pyrene derivative bipolar photoelectric material 南京和颂材料科技有限公司 2024-04-05 CN disclosed
CN-117447333-A Pyrenyl blue light material capable of emitting in narrow band, and preparation method and application thereof 广东工业大学 2024-01-26 CN disclosed
CN-116535293-A Y-type bromopyrene intermediate and derivative, preparation method and application thereof 广东工业大学 2023-08-04 CN disclosed
US-11685702-B2 Method for producing arene compounds and arene compounds produced by the same JSI SILICONE CO. (KR) 2023-06-27 US disclosed
CN-111848413-B Pyrenyl derivatives modified along short axis as well as preparation method and application thereof 山东理工大学 2022-07-15 CN disclosed
US-20210188739-A1 METHOD FOR PRODUCING ARENE COMPOUNDS AND ARENE COMPOUNDS PRODUCED BY THE SAME JSI SILICONE CO. (KR) 2021-06-24 US disclosed
US-7989802-B2 Light emitting device material and light emitting device TORAY INDUSTRIES, INC. (JP) 2011-08-02 US disclosed
US-7977869-B2 Organic luminescent device and benzo[k]fluoranthene compound CANON KABUSHIKI KAISHA (JP) 2011-07-12 US disclosed
WO-2010145726-A1 PYRENE-BASED POLYMERS FOR ORGANIC LIGHT EMITTING DIODES (OLEDS ) MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2010-12-23 WO disclosed
US-20100038634-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2010-02-18 US disclosed
EP-2128217-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE Toray Industries, Inc. (JP) 2009-12-02 EP disclosed
US-20090278447-A1 ORGANIC LUMINESCENT DEVICE AND BENZO[k]FLUORANTHENE COMPOUND CANON KABUSHIKI KAISHA (JP) 2009-11-12 US disclosed
US-20090096356-A1 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2009-04-16 US disclosed
EP-1942171-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2008-07-09 EP disclosed
JP-H04182441-A 7-TERT-BUTYL-1-IODOPYRENE AND 7-TERT-BUTYL-1-N,N-DIPHENYLAMINOPYRENE DERIVATIVE AND THEIR PRODUCTION RICOH CO LTD 1992-06-30 JP 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 (4 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-20210188739-A1 METHOD FOR PRODUCING ARENE COMPOUNDS AND ARENE COMPOUNDS PRODUCED BY THE SAME PFAS, FRK, AGPAT2 ALDH1A1 676/4885HPGD 3487/4885HSD17B10 1306/4885
US-20090278447-A1 ORGANIC LUMINESCENT DEVICE AND BENZO[k]FLUORANTHENE COMPOUND FOXK1, KCNK10, F10 ALDH1A1 1170/4885HPGD 3283/4885HSD17B10 1809/4885
US-20090096356-A1 Light-emitting device material and light-emitting device PRMT9, CCNL2, MRPL9 ALDH1A1 1929/4885HPGD 3235/4885HSD17B10 1510/4885
US-11685702-B2 Method for producing arene compounds and arene compounds produced by the same PFAS, FRK, AGPAT2 ALDH1A1 676/4885HPGD 3487/4885HSD17B10 1306/4885

“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.