SCHEMBL1306165

SCHEMBL1306165

[CH2]CCc1ccc2cc3ccccc3cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP2A6 P11509 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
SLC6A4 P31645 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HBB P68871 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
PLAU P00749 1/20 0.40

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
SCHEMBL128640 0.93 CYP1A2 (0.56) CYP1A2CYP2A6SIGMAR1HRH3SLC6A4
SCHEMBL1487677 0.88 SIGMAR1 (0.53) CYP1A2CYP2A6SIGMAR1HRH3SLC6A4
SCHEMBL1611323 0.86 SIGMAR1 (0.51) CYP1A2CYP2A6SIGMAR1HRH3SLC6A4
SCHEMBL1611043 0.84 SIGMAR1 (0.50) CYP1A2CYP2A6SIGMAR1HRH3HDAC1
SCHEMBL1612447 0.84 SIGMAR1 (0.50) CYP1A2CYP2A6SIGMAR1HRH3HDAC1
SCHEMBL1610204 0.84 SIGMAR1 (0.50) CYP1A2CYP2A6SIGMAR1HRH3HDAC1
SCHEMBL1611744 0.82 CYP1A2 (0.52) CYP1A2CYP2A6SIGMAR1HRH3ALDH1A1
SCHEMBL128560 0.81 SIGMAR1 (0.59) CYP1A2CYP2A6SIGMAR1HRH3SLC6A4
SCHEMBL133399 0.79 SIGMAR1 (0.58) CYP1A2CYP2A6SIGMAR1HRH3SLC6A4
SCHEMBL6240981 0.79 CYP1A2 (0.65) CYP1A2CYP2A6SIGMAR1HRH3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718758-B2 Aqueous dispersion of colored particles MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2023-08-08 US disclosed
EP-3725854-B1 COLORED PARTICLE AQUEOUS DISPERSION MITSUBISHI PENCIL CO (JP) 2023-07-05 EP disclosed
CN-111465662-B Aqueous dispersion of coloured particles 三菱铅笔株式会社 2023-05-26 CN disclosed
EP-3020715-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2021-06-16 EP disclosed
US-20210071006-A1 AQUEOUS DISPERSION OF COLORED PARTICLES MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2021-03-11 US disclosed
US-10913855-B2 Silicon-containing heterocyclic compound, and quencher FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2021-02-09 US disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
EP-3725854-A1 COLORED PARTICLE AQUEOUS DISPERSION MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2020-10-21 EP disclosed
US-10377713-B2 Quencher FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-08-13 US disclosed
US-20190233651-A1 SILICON-CONTAINING HETEROCYCLIC COMPOUND, AND QUENCHER FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-08-01 US disclosed
US-20030153783-A1 Synthesis of (R) and (S)-aminocarnitine, (R) and (S)-4-phosphonium-3-amino-butanoate, (R) and (S) 3,4-diaminobutanoic acid, and their derivatives starting from D- and L-aspartic acid SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. 2003-08-14 US disclosed
US-6589939-B2 Also useful in treating viral infections; antiprotozoa (plasmodium) activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-07-08 US disclosed
US-6528684-B1 Blocking amino group, cyclizing to anhydride, decarbonylation lactonation, hydrolysis, dehydroxylation quaternation using trimethyl ammonium halide, converting to internal carboxylic amine salt and deblocking SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-03-04 US disclosed
EP-1044977-B1 Camptothecin derivatives having antitumor activity SIGMA TAU IND FARMACEUTI (IT) 2002-05-02 EP disclosed
EP-1194398-A1 SYNTHESIS OF (R) AND (S)-AMINOCARNITINE AND THEIR DERIVATIVES STARTING FROM D- AND L-ASPARTIC ACID Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2002-04-10 EP disclosed
US-20010008939-A1 Camptothecin derivatives having antitumor activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.. 2001-07-19 US disclosed
US-6242457-B1 OXIME DERIVATIVES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2001-06-05 US disclosed
WO-2001002341-A1 SYNTHESIS OF (R) AND (S)-AMINOCARNITINE AND THEIR DERIVATIVES STARTING FROM D- AND L-ASPARTIC ACID SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2001-01-11 WO disclosed
EP-1044977-A1 Camptothecin derivatives having antitumor activity Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2000-10-18 EP disclosed
WO-2000053607-A1 CAMPTOTHECIN DERIVATIVES HAVING ANTITUMOR ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2000-09-14 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 (5 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-10377713-B2 Quencher AHR, GFER, AKR1A1 CYP1A2 56/4885CYP2A6 136/4885SIGMAR1 410/4885
US-20030153783-A1 Synthesis of (R) and (S)-aminocarnitine, (R) and (S)-4-phosphonium-3-amino-butanoate, (R) and (S) 3,4-diaminobutanoic acid, and their derivatives starting from D- and L-aspartic acid BCAT1, BCAT2, DDC CYP1A2 4691/4885CYP2A6 3134/4885SIGMAR1 2801/4885
US-10913855-B2 Silicon-containing heterocyclic compound, and quencher ANXA11, ANXA1, ORAI2 CYP1A2 652/4885CYP2A6 1875/4885SIGMAR1 129/4885
US-20010008939-A1 Camptothecin derivatives having antitumor activity TOP1, TOP2A, TYMP CYP1A2 3186/4885CYP2A6 4187/4885SIGMAR1 3070/4885
US-20190233651-A1 SILICON-CONTAINING HETEROCYCLIC COMPOUND, AND QUENCHER ANXA11, ANXA1, ORAI2 CYP1A2 678/4885CYP2A6 1922/4885SIGMAR1 124/4885

“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.