SCHEMBL3407439

SCHEMBL3407439

CC(=O)OCCCC(=O)Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TP53 P04637 1/20 0.48
TSHR P16473 3/20 0.44
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
HTR1A P08908 1/20 0.43
CHRNB2 P17787 1/20 0.43
TBXA2R P21731 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
GALR3 O60755 2/20 0.41

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
SCHEMBL9645837 0.93 ALDH1A1 (0.54) ALDH1A1TP53TSHRCHRM5CHRM1
SCHEMBL7407539 0.91 ALDH1A1 (0.52) ALDH1A1TP53TSHRCHRM5CHRM1
SCHEMBL5362357 0.91 ALDH1A1 (0.52) ALDH1A1TP53TSHRCHRM5CHRM1
SCHEMBL9863328 0.91 ALDH1A1 (0.52) ALDH1A1TP53TSHRCHRM5CHRM1
SCHEMBL7094911 0.91 ALDH1A1 (0.52) ALDH1A1TP53TSHRCHRM5CHRM1
SCHEMBL4090218 0.91 ALDH1A1 (0.52) ALDH1A1TP53TSHRCHRM5CHRM1
SCHEMBL7411952 0.91 ALDH1A1 (0.52) ALDH1A1TP53TSHRCHRM5CHRM1
SCHEMBL19664310 0.91 ALDH1A1 (0.52) ALDH1A1TP53TSHRCHRM5CHRM1
SCHEMBL7359556 0.91 ALDH1A1 (0.52) ALDH1A1TP53TSHRCHRM5CHRM1
SCHEMBL1830509 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115461055-B Prodrugs of neuroactive steroids 腾盛博药生物科技有限公司 2025-01-28 CN disclosed
US-20230416298-A1 PRODRUGS OF NEUROACTIVE STEROIDS BRII BIOSCIENCES, INC. 2023-12-28 US disclosed
EP-4110345-A1 PRODRUGS OF NEUROACTIVE STEROIDS Brii Biosciences, Inc. (US) 2023-01-04 EP disclosed
CN-115461055-A Prodrugs of neuroactive steroids 腾盛博药生物科技有限公司 2022-12-09 CN disclosed
US-7803785-B2 Gemcitabine prodrugs, pharmaceutical compositions and uses thereof XENOPORT, INC. (US) 2010-09-28 US disclosed
WO-2010036910-A1 HEART PROTECTION BY ADMINISTERING AN AMP-ACTIVATED PROTEIN KINASE ACTIVATOR OHTA YOSHIKAZU (JP) 2010-04-01 WO disclosed
US-20100016254-A1 GEMCITABINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2010-01-21 US disclosed
US-7608602-B2 Gemcitabine prodrugs, pharmaceutical compositions and uses thereof XENOPORT, INC. (US) 2009-10-27 US disclosed
CN-100430390-C Water-soluble triazole antifungal agents SANKYO CO (JP) 2008-11-05 CN disclosed
EP-1362856-B1 WATER-SOLUBLE TRIAZOLE FUNGICIDE DAIICHI SANKYO CO LTD (JP) 2008-09-10 EP disclosed
US-7230023-B2 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2007-06-12 US disclosed
WO-2006040558-A1 SUBSTITUTED ADENINES AND THE USE THEREOF ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
CN-1720913-A Water-soluble triazole fungicide SANKYO CO (JP) 2006-01-18 CN disclosed
EP-1567169-A2 GEMCITABINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2005-08-31 EP disclosed
US-20040198790-A1 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2004-10-07 US disclosed
US-20040142857-A1 Gemcitabine prodrugs, pharmaceutical compositions and uses thereof XENOPORT, INC. 2004-07-22 US disclosed
CN-1503795-A Water-soluble triazole antifungal agents ������������ʽ���� 2004-06-09 CN disclosed
WO-2004041203-A2 GEMCITABINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2004-05-21 WO disclosed
EP-1362856-A1 WATER-SOLUBLE TRIAZOLE FUNGICIDE Sankyo Company, Limited (JP) 2003-11-19 EP disclosed
CN-1264371-A Pyrazine derivatives, their preparation and medicines containing them RHONE POULENC RORER SA (FR) 2000-08-23 CN 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-20040142857-A1 Gemcitabine prodrugs, pharmaceutical compositions and uses thereof TYMP, GDA, GCG ALDH1A1 1596/4885TP53 68/4885TSHR 4399/4885
US-20100016254-A1 GEMCITABINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TYMP, GDA, GCG ALDH1A1 1615/4885TP53 90/4885TSHR 4354/4885
US-20230416298-A1 PRODRUGS OF NEUROACTIVE STEROIDS NR3C1, PGR, GABRD ALDH1A1 1077/4885TP53 4708/4885TSHR 814/4885
US-20040198790-A1 Water-soluble triazole fungicide ERG28, CYP51A1, XDH ALDH1A1 1619/4885TP53 1148/4885TSHR 2685/4885

“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.