SCHEMBL1306163

SCHEMBL1306163

[CH2]C(C)c1cccc2cc3ccccc3cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 2/20 0.37
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
CYP1A2 P05177 4/20 0.36
NQO1 P15559 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
UGT2B7 P16662 1/20 0.34
ERBB2 P04626 1/20 0.34

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
SCHEMBL9858819 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL11739257 0.83 CYP1A2 (0.43) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL264358 0.81 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL28256069 0.81 NQO1 (0.42) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL6677010 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL22288169 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL29114645 0.80 ALDH1A1 (0.39) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL1988094 0.80 UGT2B7 (0.47) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL28005976 0.80 ALDH1A1 (0.45) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL27934859 0.80 ALDH1A1 (0.39) ALDH1A1KDM4EGAAHSD17B10HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975248-B2 Combinations of therapeutic agents for treating cancer SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2015-03-10 US disclosed
EP-2112154-B1 Esters in position 20 of camptothecins SIGMA TAU IND FARMACEUTI (IT) 2013-07-24 EP disclosed
US-8053460-B2 Chemoosensitizer for dug resistance tumors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2011-11-08 US disclosed
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-7816386-B2 Cinnamic, phenylpropiolic and phenylpropanoic acid derivatives useful as anti-tumor agents SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-10-19 US disclosed
EP-1511752-B3 CAMPTOTHECINS WITH A MODIFIED LACTONE RING SIGMA TAU IND FARMACEUTI (IT) 2010-03-10 EP disclosed
US-20100028338-A1 Gimatecan (7-t-butoxyiminomethylcamptothecin) and chemotherapeutic agents NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-2112154-A1 Esters in position 20 of camptothecins SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2009-10-28 EP disclosed
EP-1581475-B1 SYNTHESIS OF (R) AND (S)-AMINOCARNITINE AND DERIVATIVES THEREOF FROM D-AND L-ASPARTIC ACID SIGMA TAU IND FARMACEUTI (IT) 2009-09-16 EP 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 (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-20100028338-A1 Gimatecan (7-t-butoxyiminomethylcamptothecin) and chemotherapeutic agents HDAC6, HDAC1, HDAC8 ALDH1A1 3549/4885KDM4E 2087/4885GAA 433/4885
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 ALDH1A1 2133/4885KDM4E 1651/4885GAA 3707/4885
US-20010008939-A1 Camptothecin derivatives having antitumor activity TOP1, TOP2A, TYMP ALDH1A1 2202/4885KDM4E 4795/4885GAA 1667/4885
US-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 ALDH1A1 137/4885KDM4E 1272/4885GAA 4626/4885

“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.