SCHEMBL10074426

SCHEMBL10074426

CC(C)C(=O)NCCCCNC(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A2 O94788 1/20 0.42
ALDH2 P05091 1/20 0.42
ALDH1A3 P47895 1/20 0.42
MEN1 O00255 1/20 0.42
PTGS1 P23219 1/20 0.41
KCNH2 Q12809 1/20 0.41
EPHX1 P07099 1/20 0.40
DRD2 P14416 7/20 0.39
DRD4 P21917 7/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
BRD4 O60885 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL13450065 0.98 KMT2A (0.45) POLBKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL15247872 0.98 KMT2A (0.45) POLBKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL13154688 0.92 TSHR (0.41) POLBKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL25446979 0.86 KMT2A (0.38) POLBKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL861034 0.85 KMT2A (0.57) KMT2ACYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL18622113 0.85 POLB (0.57) POLBKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL22821556 0.83 KMT2A (0.55) POLBKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL17777241 0.83 ALDH1A1 (0.58) KMT2ACYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL23839910 0.83 ALDH1A1 (0.58) KMT2ACYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL10633351 0.83 MEN1 (0.58) POLBKMT2AALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689430-B2 Insulin receptor partial agonists MERCK SHARP & DOHME CORP. (US) 2020-06-23 US disclosed
US-20190177393-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-06-13 US disclosed
US-8097688-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2012-01-17 US disclosed
US-20100227076-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-09 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 (2 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-20190177393-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 POLB 3593/4885KMT2A 4174/4885CYP2D6 2972/4885
US-10689430-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 POLB 3593/4885KMT2A 4174/4885CYP2D6 2972/4885

“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.