SCHEMBL22692602

SCHEMBL22692602

Cc1ccccc1-c1ccccc1C(=O)N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.61
ALDH1A1 P00352 2/20 0.58
TP53 P04637 1/20 0.58
HTT P42858 2/20 0.58
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 2/20 0.55
TSHR P16473 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL10013747 0.87 HTT (0.72) PKMALDH1A1HTTGAASMN1; SMN2
SCHEMBL22764320 0.84 HTT (0.66) ALDH1A1HTTSMN1; SMN2NPSR1TSHR
SCHEMBL7121916 0.82 SMN1; SMN2 (0.77) PKMALDH1A1TP53HTTGAA
SCHEMBL3996738 0.81 TSHR (0.73) ALDH1A1TP53GAASMN1; SMN2TSHR
SCHEMBL12569441 0.81 PKM (0.60) PKMALDH1A1TP53HTTGAA
SCHEMBL3758627 0.80 ALDH1A1 (0.63) PKMALDH1A1TP53HTTGAA
SCHEMBL29956307 0.80 ALDH1A1 (0.63) PKMALDH1A1TP53HTTGAA
SCHEMBL25077827 0.79 PKM (0.58) PKMALDH1A1TP53HTTGAA
SCHEMBL14688615 0.79 HTT (0.58) PKMALDH1A1TP53HTTGAA
SCHEMBL27752641 0.79 PKM (0.58) PKMALDH1A1TP53HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11325885-B2 Method for treating stomach cancer KING ABDULAZIZ UNIVERSITY (SA) 2022-05-10 US disclosed
US-11312680-B2 Method for treating a patient having a colon cancer KING ABDULAZIZ UNIVERSITY (SA) 2022-04-26 US disclosed
US-11214537-B2 Method for making anti-cancer compounds KING ABDULAZIZ UNIVERSITY (SA) 2022-01-04 US disclosed
US-20210395187-A1 METHOD FOR TREATING A PATIENT HAVING A COLON CANCER KING ABDULAZIZ UNIVERSITY (SA) 2021-12-23 US disclosed
US-20210380526-A1 METHOD FOR TREATING STOMACH CANCER KING ABDULAZIZ UNIVERSITY (SA) 2021-12-09 US disclosed
US-20210340097-A1 METHOD FOR MAKING ANTI-CANCER COMPOUNDS KING ABDULAZIZ UNIVERSITY (SA) 2021-11-04 US disclosed
US-11136288-B2 Method for treating a patient having cancer KING ABDULAZIZ UNIVERSITY (SA) 2021-10-05 US disclosed
US-20210188765-A1 METHOD FOR TREATING A PATIENT HAVING CANCER KING ABDULAZIZ UNIVERSITY (SA) 2021-06-24 US disclosed
US-10988439-B2 Cytotoxic compounds, pharmaceutical compositions thereof, and methods of treating cancer KING ABDULAZIZ UNIVERSITY (SA) 2021-04-27 US disclosed
US-20200385336-A1 CYTOTOXIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF TREATING CANCER KING ABDULAZIZ UNIVERSITY (SA) 2020-12-10 US disclosed
US-10844007-B1 Amide group-containing compounds and use for cancer treatment KING ABDULAZIZ UNIVERSITY (SA) 2020-11-24 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 (11 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-20210380526-A1 METHOD FOR TREATING STOMACH CANCER TUBB, TUBB1, TUBA1C PKM 1216/4885ALDH1A1 3409/4885TP53 227/4885
US-20210395187-A1 METHOD FOR TREATING A PATIENT HAVING A COLON CANCER TUBB1, TUBA1C, TUBB PKM 1104/4885ALDH1A1 2594/4885TP53 192/4885
US-20200385336-A1 CYTOTOXIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF TREATING CANCER SRC, MCL1, LYN PKM 891/4885ALDH1A1 3413/4885TP53 33/4885
US-10988439-B2 Cytotoxic compounds, pharmaceutical compositions thereof, and methods of treating cancer SRC, MCL1, LYN PKM 891/4885ALDH1A1 3413/4885TP53 33/4885
US-11214537-B2 Method for making anti-cancer compounds MCL1, TUBB, TUBB1 PKM 1511/4885ALDH1A1 3075/4885TP53 137/4885
US-20210340097-A1 METHOD FOR MAKING ANTI-CANCER COMPOUNDS MCL1, TUBB, TUBB1 PKM 1511/4885ALDH1A1 3075/4885TP53 137/4885
US-20210188765-A1 METHOD FOR TREATING A PATIENT HAVING CANCER TUBA1C, TUBB1, TUBB PKM 1238/4885ALDH1A1 1926/4885TP53 112/4885
US-11312680-B2 Method for treating a patient having a colon cancer TUBB1, TUBA1C, TUBB PKM 1104/4885ALDH1A1 2594/4885TP53 192/4885
US-10844007-B1 Amide group-containing compounds and use for cancer treatment SRC, TUBB, TUBB1 PKM 1373/4885ALDH1A1 3615/4885TP53 211/4885
US-11325885-B2 Method for treating stomach cancer TUBB, TUBB1, TUBA1C PKM 1216/4885ALDH1A1 3409/4885TP53 227/4885
US-11136288-B2 Method for treating a patient having cancer TUBA1C, TUBB1, TUBB PKM 1238/4885ALDH1A1 1926/4885TP53 112/4885

“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.