SCHEMBL2618708

SCHEMBL2618708

NNC(=O)CCCNC(=O)CCSSCCC(=O)NCCCC(=O)NN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
KDM5C P41229 1/20 0.43
PHF8 Q9UPP1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
LMNA P02545 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CTSD P07339 1/20 0.39
CASP2 P42575 1/20 0.37
GAA P10253 1/20 0.37
FAAH O00519 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2618704 0.88 KDM4E (0.46) KDM4EKDM5CPHF8KDM2ALMNA
SCHEMBL2618710 0.86 ALDH1A1 (0.44) KDM4EKDM5CPHF8KDM2ACA1
SCHEMBL2618713 0.86 TSHR (0.41) KDM4EKDM5CPHF8KDM2ALMNA
SCHEMBL13302374 0.85 ALDH1A1 (0.39) KDM4EKDM5CPHF8KDM2ALMNA
SCHEMBL13302376 0.85 ALDH1A1 (0.47) KDM4EKDM5CPHF8KDM2ATSHR
SCHEMBL1160518 0.83 KDM4E (0.59) KDM4EKDM5CPHF8KDM2ALMNA
SCHEMBL2618703 0.82 KDM4E (0.48) KDM4EKDM5CPHF8KDM2ALMNA
SCHEMBL13492303 0.80 LMNA (0.42) KDM4EKDM5CPHF8KDM2ALMNA
SCHEMBL1627990 0.79 KDM4E (0.48) KDM4EKDM5CPHF8KDM2ALMNA
SCHEMBL13492301 0.79 CTSD (0.47) TSHRALDH1A1CTSDCASP2FAAH

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8647670-B2 Biocompatible rapid-gelating hydrogel and associated preparation method of spray BIOREGEN BIOMEDICAL (CHANGZHOU) CO., LTD. (CN) 2014-02-11 US disclosed
US-8647670-B2 Biocompatible rapid-gelating hydrogel and associated preparation method of spray BIOREGEN BIOMEDICAL (CHANGZHOU) CO., LTD. (CN) 2014-02-11 US disclosed
US-8158754-B2 Multiple modified derivatives of gelatin and crosslinked material thereof BIOREGEN BIOMEDICAL (CHANGZHOU) CO., LTD. (CN) 2012-04-17 US disclosed
US-8124757-B2 Thiol-modified macromolecule derivatives and cross-linked materials thereof BIOREGEN BIOMEDICAL (CHANGZHOU) CO., LTD. (CN) 2012-02-28 US disclosed
US-8067636-B2 Dihydrazide compounds, preparation and uses thereof BIOREGEN BIOMEDICAL (SHANGHAI) CO., LTD (CN) 2011-11-29 US disclosed
US-20100152423-A1 THIOL-MODIFIED MACROMOLECULE DERIVATIVES AND CROSS-LINKED MATERIALS THEREOF BIOREGEN BIOMEDICAL (CHANGZHOU) CO., LTD. (CN) 2010-06-17 US disclosed
US-20100144902-A1 BIOCOMPATIBLE RAPID-GELATING HYDROGEL AND ASSOCIATED PREPARATION METHOD OF SPRAY BIOREGEN BIOMEDICAL (CHANGZHOU) CO., LTD. (CN) 2010-06-10 US disclosed
US-20100048952-A1 DIHYDRAZIDE COMPOUNDS, PREPARATION AND USES THEREOF BIOREGEN BIOMEDICAL (CHANGZHOU) CO., LTD. (CN) 2010-02-25 US disclosed
US-20090306345-A1 MULTIPLE MODIFIED DERIVATIVES OF GELATIN AND CROSSLINKED MATERIAL THEREOF BIOREGEN BIOMEDICAL (CHANGZHOU) CO., LTD. (CN) 2009-12-10 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 (3 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-20100048952-A1 DIHYDRAZIDE COMPOUNDS, PREPARATION AND USES THEREOF GRHPR, HRH4, HRH2 KDM4E 2190/4885KDM5C 3898/4885PHF8 1071/4885
US-20100144902-A1 BIOCOMPATIBLE RAPID-GELATING HYDROGEL AND ASSOCIATED PREPARATION METHOD OF SPRAY CSTB, CAPG, F12 KDM4E 2989/4885KDM5C 1626/4885PHF8 4283/4885
US-20100152423-A1 THIOL-MODIFIED MACROMOLECULE DERIVATIVES AND CROSS-LINKED MATERIALS THEREOF PTMS, TMT1A, EPCAM KDM4E 2135/4885KDM5C 2657/4885PHF8 2446/4885

“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.