SCHEMBL444454

SCHEMBL444454

NNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
VCP P55072 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
HIF1A Q16665 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
WNT3 P56703 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
Hydrochloric Acid SCHEMBL445248 0.98 LMNA (0.34) LMNAVCPALDH1A1CYP1A2HPGD
Hydrochloric Acid SCHEMBL562710 0.98 LMNA (0.34) LMNAVCPALDH1A1CYP1A2HPGD
SCHEMBL27627029 0.94 EPHX1 (0.34) LMNAVCPALDH1A1HPGDCYP2C19
Trifluoroacetic Acid SCHEMBL30949078 0.91 F11 (0.34) LMNAVCPBACE1BACE2TTR
SCHEMBL15935489 0.88 LMNA (0.33) LMNAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL12092098 0.84 LMNA (0.47) LMNAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL16072051 0.82 SMN1; SMN2 (0.37) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL744123 0.82 SMN1; SMN2 (0.37) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL12020688 0.82 LMNA (0.33) LMNAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL20496782 0.82 TTR (0.37) LMNAALDH1A1HPGDCYP2C19WNT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160228365-A1 LIPOSOME COMPOSITION FOR CANCER TREATMENT MASHHAD UNIVERSITY OF MEDICAL SCEINCE (IR) 2016-08-11 US claimed
US-20150306244-A1 Anthracycline-Antibody Conjugates for Cancer Therapy IMMUNOMEDICS, INC. 2015-10-29 US claimed
US-8895013-B2 Anthracycline-antibody conjugates for cancer therapy IMMUNOMEDICS, INC. (US) 2014-11-25 US claimed
US-20140154273-A1 Anthracycline-Antibody Conjugates for Cancer Therapy IMMUNOMEDICS, INC. (US) 2014-06-05 US claimed
US-8568729-B2 Anthracycline-antibody conjugates for cancer therapy IMMUNOMEDICS, INC. (US) 2013-10-29 US claimed
US-20130171176-A1 Anthracycline-Antibody Conjugates for Cancer Therapy IMMUNOMEDICS, INC. (US) 2013-07-04 US claimed
US-8361464-B2 Anthracycline-Antibody Conjugates for Cancer Therapy IMMUNOMEDICS, INC. (US) 2013-01-29 US claimed
JP-4805137-B2 2011-11-02 JP claimed
US-20110229510-A1 GLYCOPEPTIDE CONSTRUCTS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-09-22 US claimed
EP-2315771-A2 GLYCOPEPTIDE CONSTRUCTS AND USES THEREOF Sloan Kettering Institute For Cancer Research (US) 2011-05-04 EP claimed
US-20040202666-A1 Anti-cancer anthracycline drug-antibody conjugates IMMUNOMEDICS, INC. 2004-10-14 US claimed
WO-2004067038-A1 ANTHRACYCLINE-ANTIBODY CONJUGATES IMMUNOMEDICS, INC. (US) 2004-08-12 WO claimed
WO-2004032971-A1 PHARMACEUTICALLY ACTIVE OLIGOSACCHARIDE CONJUGATES FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2004-04-22 WO claimed
EP-0752102-B1 IMMUNOENZYMATIC CONJUGATE, PREPARATION METHOD THEREFOR AND USES THEREOF PASTEUR SANOFI DIAGNOSTICS (FR) 2000-11-15 EP claimed
US-6027874-A IMMUNOASSAY BY CONTACTING SAMPLE WITH CONJUGATE OF GLYCOSYLATED LABELING ENZYMES AND IMMUNOLOGICAL SUBSTANCE, AND DETECTING COMPLEX FORMED; FOR INCREASED SENSITIVITY OF VIRAL INFECTIONS PASTEUR SANOFI DIAGNOSTICS (FR) 2000-02-22 US claimed
EP-0752102-A1 IMMUNOENZYMATIC CONJUGATE, PREPARATION METHOD THEREFOR AND USES THEREOF PASTEUR SANOFI DIAGNOSTICS (FR) 1997-01-08 EP claimed
EP-0751959-A1 MODIFIED POLYPEPTIDES WITH INCREASED BIOLOGICAL ACTIVITY NEW ENGLAND DEACONESS HOSPITAL (US) 1997-01-08 EP claimed
WO-1996023226-A9 IMMUNOENZYMATIC CONJUGATE, PREPARATION METHOD THEREFOR AND USES THEREOF 1996-10-31 WO claimed
WO-1996023226-A1 IMMUNOENZYMATIC CONJUGATE, PREPARATION METHOD THEREFOR AND USES THEREOF PASTEUR SANOFI DIAGNOSTICS (FR) 1996-08-01 WO claimed
WO-1995025746-A1 MODIFIED POLYPEPTIDES WITH INCREASED BIOLOGICAL ACTIVITY NEW ENGLAND DEACONESS HOSPITAL (US) 1995-09-28 WO claimed

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-20040202666-A1 Anti-cancer anthracycline drug-antibody conjugates BCR, TOP2A, ABCB1 LMNA 3892/4885VCP 3587/4885ALDH1A1 558/4885
US-20150306244-A1 Anthracycline-Antibody Conjugates for Cancer Therapy BCR, TOP2A, DNAH12 LMNA 4264/4885VCP 3878/4885ALDH1A1 309/4885
US-20140154273-A1 Anthracycline-Antibody Conjugates for Cancer Therapy BCR, TOP2A, DNAH12 LMNA 4264/4885VCP 3878/4885ALDH1A1 309/4885
US-20130171176-A1 Anthracycline-Antibody Conjugates for Cancer Therapy BCR, TOP2A, DNAH12 LMNA 4264/4885VCP 3878/4885ALDH1A1 309/4885
US-20110229510-A1 GLYCOPEPTIDE CONSTRUCTS AND USES THEREOF B3GAT3, MICA, SIGLEC7 LMNA 4097/4885VCP 2180/4885ALDH1A1 3709/4885

“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.