SCHEMBL2494544

SCHEMBL2494544

c1ccc2c(C(c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
CYP1A2 P05177 3/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
CYP2A6 P11509 3/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
KEAP1 Q14145 1/20 0.46
HPRT1 P00492 1/20 0.46
ADRA2A P08913 4/20 0.44
ADRA2B P18089 4/20 0.44
ADRA2C P18825 4/20 0.44
ADRA1A P35348 4/20 0.44
ADRA1D P25100 3/20 0.44
ADRA1B P35368 3/20 0.44
SLC6A4 P31645 1/20 0.44
ACP3 P15309 1/20 0.43

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
SCHEMBL5012390 0.85 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL40516 0.85 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL10296817 0.83 CYP1A2 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL21662300 0.82 TRPM4 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL9950214 0.81 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL9950211 0.81 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL19514728 0.81 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL3255966 0.81 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL30861790 0.81 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL23900928 0.80 PTPN22 (0.57) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117417229-A Trinaphthylmethane cluster luminescent material and preparation method and application thereof 浙江大学杭州国际科创中心 2024-01-19 CN claimed
CN-117417229-B Trinaphthylmethane cluster luminescent material and preparation method and application thereof 浙江大学杭州国际科创中心 2025-09-19 CN disclosed
CN-117417229-B Trinaphthylmethane cluster luminescent material and preparation method and application thereof 浙江大学杭州国际科创中心 2025-09-19 CN disclosed
CN-117417229-A Trinaphthylmethane cluster luminescent material and preparation method and application thereof 浙江大学杭州国际科创中心 2024-01-19 CN disclosed
CN-117417229-A Trinaphthylmethane cluster luminescent material and preparation method and application thereof 浙江大学杭州国际科创中心 2024-01-19 CN disclosed
CN-117417229-A Trinaphthylmethane cluster luminescent material and preparation method and application thereof 浙江大学杭州国际科创中心 2024-01-19 CN disclosed
CN-110002967-B Method for producing halide, method for producing potassium salt, and potassium salt 株式会社大赛璐 2022-12-16 CN disclosed
US-11335858-B2 Aromatic amine derivatives and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2022-05-17 US disclosed
US-20190288208-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2019-09-19 US disclosed
EP-2468725-B1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO (JP) 2019-07-17 EP disclosed
EP-2468725-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME Idemitsu Kosan Co., Ltd. (JP) 2012-06-27 EP disclosed
US-20120146014-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-06-14 US disclosed
WO-2012074128-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-06-07 WO disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 US disclosed
EP-2457655-A2 Catalyst for asymmetric hydrogenation comprising peptides and method for manufacturing optically active carbonyl compound using the same Takasago International Corporation (JP) 2012-05-30 EP disclosed
EP-2380567-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2011-10-26 EP disclosed
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed
US-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed
US-4036863-A Trinapthylmethane compounds POLAROID CORPORATION (US) 1977-07-19 US 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 (6 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 ALDH1A1 223/4885CYP1A2 1183/4885CYP2C9 1896/4885
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 ALDH1A1 122/4885CYP1A2 2014/4885CYP2C9 1990/4885
US-20190288208-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME RER1, NR4A1, REL ALDH1A1 340/4885CYP1A2 826/4885CYP2C9 1563/4885
US-20120146014-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 ALDH1A1 538/4885CYP1A2 1383/4885CYP2C9 1073/4885
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, TH ALDH1A1 1292/4885CYP1A2 28/4885CYP2C9 19/4885
US-11335858-B2 Aromatic amine derivatives and organic electroluminescent elements using same RER1, NR4A1, REL ALDH1A1 340/4885CYP1A2 826/4885CYP2C9 1563/4885

“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.