SCHEMBL4079831

SCHEMBL4079831

CC(C)c1ccc2ccc3c(C(C)C)cc(Br)c4ccc1c2c43

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31

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
SCHEMBL29634289 1.00 ACE2 (0.32) ACE2GABRA1GABRB1
SCHEMBL697982 0.89 GABRA1 (0.37) ACE2GABRA1GABRB1
SCHEMBL28217195 0.87 GABRA1 (0.31) GABRA1GABRB1
SCHEMBL27183462 0.87 ALDH1A1 (0.32) ACE2
SCHEMBL4923170 0.82 HPGD (0.39) ACE2GABRA1GABRB1
SCHEMBL19159256 0.80 LMNA (0.33) GABRA1GABRB1
SCHEMBL28113994 0.76
SCHEMBL30897408 0.75 HPGD (0.54) GABRA1GABRB1
SCHEMBL18912913 0.75 HPGD (0.54) GABRA1GABRB1
SCHEMBL17572928 0.75 GABRA1 (0.35) GABRA1GABRB1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573607-B Pyrene condensed ring molecule based on bridged trimerization indole structure and electroluminescent device 中国科学院长春应用化学研究所 2024-05-28 CN disclosed
CN-106883203-B Derivative based on pyrene and naphthalene benzofuran, preparation method, application and device thereof 湖北尚赛光电材料有限公司 2022-09-27 CN disclosed
CN-114573607-A Pyrene condensed ring molecule based on bridged trimeric indole structure and electroluminescent device 中国科学院长春应用化学研究所 2022-06-03 CN disclosed
CN-109776335-A Amine derivant of pyrene and preparation method thereof, application and device 武汉尚赛光电科技有限公司 2019-05-21 CN disclosed
CN-109651312-A One kind containing pyrene compound and organic light emitting diode device 瑞声科技(南京)有限公司 2019-04-19 CN disclosed
CN-106170474-B Novel compound 出光兴产株式会社 2018-11-06 CN disclosed
CN-107652307-A Organic electroluminescent material and application thereof 机光科技股份有限公司 2018-02-02 CN disclosed
CN-104795495-B Aromatic amine derivative and organic electroluminescent element using same 出光兴产株式会社 2017-09-29 CN disclosed
US-8431250-B2 Aromatic amine derivative, and organic electroluminescent element comprising the same IDEMITSU KOSAN CO., LTD. (JP) 2013-04-30 US disclosed
US-8431250-B2 Aromatic amine derivative, and organic electroluminescent element comprising the same IDEMITSU KOSAN CO., LTD. (JP) 2013-04-30 US disclosed
US-20120132901-A1 PYRENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-05-31 US disclosed
US-20120132901-A1 PYRENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-05-31 US disclosed
US-20120112169-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 US disclosed
US-20120112169-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 US disclosed
CN-102239141-A Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO 2011-11-09 CN disclosed
CN-102232068-A Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO 2011-11-02 CN disclosed
WO-2011018951-A1 PYRENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-02-17 WO 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-20120112169-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AR, H1-4, AFF4 ACE2 2473/4885GABRA1 2889/4885GABRB1 3529/4885
US-20120132901-A1 PYRENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME PPOX, CYP1A1, CYP3A4 ACE2 2801/4885GABRA1 3937/4885GABRB1 3913/4885

“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.