SCHEMBL21391388

SCHEMBL21391388

CCC(C)CCCNC(=O)CN

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DPP7 Q9UHL4 2/20 0.38
ALDH1A1 P00352 2/20 0.37
RRM1 P23921 1/20 0.37
CASP2 P42575 1/20 0.36
OTC P00480 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
NAAA Q02083 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
PAOX Q6QHF9 2/20 0.33
SLC6A5 Q9Y345 2/20 0.33
EPHX1 P07099 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
SCHEMBL18829056 0.85 MEN1 (0.61) MEN1KMT2AALDH1A1CASP2NAAA
SCHEMBL7947948 0.82 KMT2A (0.41) MEN1KMT2ADPP7ALDH1A1RRM1
SCHEMBL5210948 0.81 MEN1 (0.42) MEN1KMT2ADPP7ALDH1A1CASP2
SCHEMBL23710264 0.81 DPP7 (0.38) MEN1KMT2ADPP7RRM1GNAI3
SCHEMBL13056218 0.81 DPP7 (0.38) MEN1KMT2ADPP7RRM1GNAI3
SCHEMBL18756720 0.80 CASP2 (0.52) ALDH1A1CASP2NAAASLC6A5
SCHEMBL22509626 0.80 ALDH1A1 (0.48) MEN1KMT2AALDH1A1CASP2NAAA
SCHEMBL21391368 0.79 MEN1 (0.39) MEN1KMT2ADPP7ALDH1A1RRM1
SCHEMBL23733329 0.79 TSHR (0.41) MEN1KMT2AALDH1A1CASP2SMN1; SMN2
SCHEMBL5211823 0.79 ALDH1A1 (0.43) MEN1KMT2AALDH1A1CASP2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210078983-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER Cellix Bio Provate Limited (IN) 2021-03-18 US disclosed
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 (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-20210078983-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER SI, HBG2, HBG1 MEN1 999/4885KMT2A 4424/4885DPP7 3913/4885
US-20190292171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER SI, HBG2, HBG1 MEN1 999/4885KMT2A 4424/4885DPP7 3913/4885
US-10858349-B2 Compositions and methods for the treatment of cancer SI, HBG2, HBG1 MEN1 999/4885KMT2A 4424/4885DPP7 3913/4885

“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.