SCHEMBL660424

SCHEMBL660424

CC(=O)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
TSHR P16473 1/20 0.68
HSD17B10 Q99714 1/20 0.67
EPHX2 P34913 7/20 0.63
HTT P42858 1/20 0.56
P2RX7 Q99572 4/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL17586257 0.91 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10EPHX2HTT
SCHEMBL21376713 0.90 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10EPHX2HTT
SCHEMBL13173769 0.84 ALDH1A1 (0.54) ALDH1A1TSHRHSD17B10EPHX2HTT
SCHEMBL15436470 0.84 ALDH1A1 (0.54) ALDH1A1TSHRHSD17B10EPHX2HTT
SCHEMBL29602615 0.82 ALDH1A1 (0.68) ALDH1A1TSHRHSD17B10EPHX2HTT
SCHEMBL2290939 0.81 ALDH1A1 (1.00) ALDH1A1TSHRHSD17B10EPHX2HTT
SCHEMBL14644919 0.81 ALDH1A1 (0.70) ALDH1A1TSHRHSD17B10EPHX2HTT
SCHEMBL11076664 0.81 ALDH1A1 (0.70) ALDH1A1TSHRHSD17B10EPHX2HTT
SCHEMBL21376621 0.81 ALDH1A1 (0.66) ALDH1A1TSHRHSD17B10EPHX2HTT
SCHEMBL8338683 0.80 MEN1 (0.67) ALDH1A1TSHRHSD17B10EPHX2P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELI LILLY AND COMPANY (US) 2020-07-07 US disclosed
WO-2019178248-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 WO disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US disclosed
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2018-09-20 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-20170049903-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-02-23 US disclosed
US-20150050233-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2015-02-19 US disclosed
US-20150031753-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2015-01-29 US disclosed
US-20130197210-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2013-08-01 US disclosed
US-20130172549-A1 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-07-04 US disclosed
US-8092833-B2 Compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-01-10 US disclosed
US-20110256104-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-20110182864-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-07-28 US disclosed
US-7968123-B2 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-06-28 US disclosed
US-7807198-B2 Compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-10-05 US disclosed
US-20100216763-A1 Heteroaryl Amide Derivatives H. LUNDBECK A/S (DK) 2010-08-26 US disclosed
US-20100093747-A1 METHOD OF INDUCING NEGATIVE CHEMOTAXIS CELTAXSYS, INC. 2010-04-15 US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 US disclosed
US-20070128167-A1 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-06-07 US disclosed
US-7166302-B2 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-01-23 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 (14 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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 ALDH1A1 1104/4885TSHR 4745/4885HSD17B10 3677/4885
US-20110256104-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES INTS6, EXOSC5, PCBP1 ALDH1A1 3199/4885TSHR 4564/4885HSD17B10 2411/4885
US-20100093747-A1 METHOD OF INDUCING NEGATIVE CHEMOTAXIS PMAIP1, CDC42, DCX ALDH1A1 3761/4885TSHR 4209/4885HSD17B10 3018/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 ALDH1A1 968/4885TSHR 3225/4885HSD17B10 1209/4885
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ALDH1A1 1104/4885TSHR 4745/4885HSD17B10 3677/4885
US-20150031753-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES INTS6, EXOSC5, PCBP1 ALDH1A1 3199/4885TSHR 4564/4885HSD17B10 2411/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 ALDH1A1 968/4885TSHR 3225/4885HSD17B10 1209/4885
US-20110182864-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES EXOSC5, EXOSC9, INTS6 ALDH1A1 2996/4885TSHR 4519/4885HSD17B10 2149/4885
US-20070128167-A1 Complexing agents for compositions containing inclusion complexes INTS6, EXOSC5, PCBP1 ALDH1A1 3199/4885TSHR 4564/4885HSD17B10 2411/4885
US-20150050233-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES EXOSC5, EXOSC9, INTS6 ALDH1A1 2996/4885TSHR 4519/4885HSD17B10 2149/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ALDH1A1 1104/4885TSHR 4745/4885HSD17B10 3677/4885
US-20100216763-A1 Heteroaryl Amide Derivatives HCAR2, PIGS, GPR52 ALDH1A1 1276/4885TSHR 62/4885HSD17B10 1049/4885
US-20170049903-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES INTS6, EXOSC5, PCBP1 ALDH1A1 3199/4885TSHR 4564/4885HSD17B10 2411/4885
US-20130172549-A1 Heteroaryl amide derivatives HCAR2, PIGS, GPR52 ALDH1A1 1276/4885TSHR 62/4885HSD17B10 1049/4885

“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.