SCHEMBL21391510

SCHEMBL21391510

CSCC(=O)NCCCOC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MLYCD O95822 1/20 0.37
NAMPT P43490 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
RECQL P46063 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL14241836 0.80 MEN1 (0.59) TSHRMLYCDNAMPTKMT2AMEN1
SCHEMBL13855532 0.80 TDP1 (0.50) HTTKMT2AMEN1TDP1GAA
SCHEMBL10104241 0.79 KMT2A (0.48) TSHRHTTHSD17B10KMT2AMEN1
SCHEMBL15468365 0.79 TDP1 (0.49) HTTKMT2AMEN1TDP1GAA
SCHEMBL21472789 0.77 KMT2A (0.39) TSHRHTTHSD17B10KMT2AMEN1
SCHEMBL19425799 0.76 TSHR (0.33) TSHRHTTHSD17B10MLYCDNAMPT
SCHEMBL22859846 0.76 TSHR (0.41) TSHRMLYCDNAMPTKMT2AMEN1
SCHEMBL15887524 0.76 TSHR (0.49) TSHRMLYCDNAMPTKMT2AMEN1
SCHEMBL19606789 0.76 TSHR (0.41) TSHRMLYCDNAMPTKMT2AMEN1
SCHEMBL10061720 0.76 MAPK1 (0.54) TSHRHSD17B10MLYCDNAMPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858349-B2 Compositions and methods for the treatment of cancer CELLIX BIO PRIVATE LIMITED (IN) 2020-12-08 US disclosed
US-20190292171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER CELLIX BIO PRIVATE LIMITED (IN) 2019-09-26 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-20190292171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER SI, HBG2, HBG1 TSHR 3208/4885HTT 3856/4885HSD17B10 1921/4885
US-10858349-B2 Compositions and methods for the treatment of cancer SI, HBG2, HBG1 TSHR 3208/4885HTT 3856/4885HSD17B10 1921/4885

“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.