SCHEMBL22645321

SCHEMBL22645321

CCC(C)NC(=O)/C(=C/c1ccccc1)NC(=O)C=Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
NPSR1 Q6W5P4 2/20 0.57
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
HTT P42858 3/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL22645322 1.00 ALDH1A1 (0.57) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL22645320 1.00 ALDH1A1 (0.57) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL22662526 1.00 ALDH1A1 (0.57) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
N-Sec-Butylcinnamamide SCHEMBL24740108 0.83 ALDH1A1 (0.69) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL22645401 0.81 ALDH1A1 (0.62) ALDH1A1NPSR1TDP1HTTMMP1
SCHEMBL22645341 0.79 ALDH1A1 (0.59) ALDH1A1NPSR1HTTMMP1MMP2
SCHEMBL22645465 0.77 HDAC3 (0.59) ALDH1A1NPSR1CYP1A2CYP2C9TDP1
SCHEMBL22645466 0.77 HDAC3 (0.59) ALDH1A1NPSR1CYP1A2CYP2C9TDP1
SCHEMBL22645468 0.77 HDAC3 (0.59) ALDH1A1NPSR1CYP1A2CYP2C9TDP1
SCHEMBL22645300 0.77 EGFR (0.64) ALDH1A1NPSR1HTTMMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312694-B2 Method for making propenamide compound KING ABDULAZIZ UNIVERSITY (SA) 2022-04-26 US disclosed
US-20220033368-A1 METHOD FOR MAKING PROPENAMIDE COMPOUND KING ABDULAZIZ UNIVERSITY (SA) 2022-02-03 US disclosed
US-20220009896-A1 METHOD OF TREATING COLORECTAL CANCER KING ABDULAZIZ UNIVERSITY (SA) 2022-01-13 US disclosed
US-11214556-B1 Method of treating colorectal cancer KING ABDULAZIZ UNIVERSITY (SA) 2022-01-04 US disclosed
US-11155528-B2 Bis-propenamide compounds and methods of treating cancer KING ABDULAZIZ UNIVERSITY (SA) 2021-10-26 US disclosed
US-20210122721-A1 BIS-PROPENAMIDE COMPOUNDS AND METHODS OF TREATING CANCER KING ABDULAZIZ UNIVERSITY (SA) 2021-04-29 US disclosed
US-10836736-B1 Pharmaceutical composition with cytotoxic activity on colorectal cancer cells KING ABDULAZIZ UNIVERSITY (SA) 2020-11-17 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 (7 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-10836736-B1 Pharmaceutical composition with cytotoxic activity on colorectal cancer cells APC, DCK, ABCB1 ALDH1A1 695/4885NPSR1 3962/4885CYP1A2 117/4885
US-20210122721-A1 BIS-PROPENAMIDE COMPOUNDS AND METHODS OF TREATING CANCER APC, CCNE1, CCNI ALDH1A1 392/4885NPSR1 1871/4885CYP1A2 141/4885
US-20220009896-A1 METHOD OF TREATING COLORECTAL CANCER APC, SLC10A2, FOLR1 ALDH1A1 350/4885NPSR1 3434/4885CYP1A2 53/4885
US-11312694-B2 Method for making propenamide compound APC, CYP2C19, PKD1 ALDH1A1 353/4885NPSR1 1752/4885CYP1A2 94/4885
US-20220033368-A1 METHOD FOR MAKING PROPENAMIDE COMPOUND APC, CYP2C19, PKD1 ALDH1A1 353/4885NPSR1 1752/4885CYP1A2 94/4885
US-11155528-B2 Bis-propenamide compounds and methods of treating cancer APC, CCNE1, CCNI ALDH1A1 392/4885NPSR1 1871/4885CYP1A2 141/4885
US-11214556-B1 Method of treating colorectal cancer APC, SLC10A2, FOLR1 ALDH1A1 350/4885NPSR1 3434/4885CYP1A2 53/4885

“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.