SCHEMBL15468952

SCHEMBL15468952

CC(=O)Cn1cc(C(C)C)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 2/20 0.45
PTGS2 P35354 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
TYR P14679 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
USP5 P45974 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAB9A P51151 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL15468899 0.86 ALDH1A1 (0.62) MAPTALDH1A1KDM4EPOLBPTGS2
SCHEMBL13384518 0.78 MAPT (0.39) MAPTALDH1A1KDM4EPOLBPTGS2
SCHEMBL13384524 0.75 MAPT (0.37) MAPTALDH1A1KDM4EPOLBPTGS2
SCHEMBL15468864 0.75 PTGS2 (0.39) MAPTALDH1A1KDM4EPTGS2HPGD
SCHEMBL23467956 0.74 MGLL (0.38) MAPTALDH1A1KDM4EPOLBPTGS2
SCHEMBL25743028 0.74 ALDH1A1 (0.46) MAPTALDH1A1KDM4EPOLBLMNA
SCHEMBL13384527 0.72 RORA (0.43) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL21093434 0.72 PTGDR2 (0.39) MAPTALDH1A1KDM4EPTGS2CYP2D6
SCHEMBL13384529 0.71 ALDH1A1 (0.39) MAPTALDH1A1PTGS2HIF1AHPGD
SCHEMBL21350503 0.71 MAPT (0.48) MAPTALDH1A1CYP2C9LMNA

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
WO-2023109929-A1 HETEROCYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF 石药集团中奇制药技术(石家庄)有限公司 2023-06-22 WO disclosed
US-9085561-B2 Cyclic urea- or lactam-substituted quinoxaline-type piperidines as ORL-1 modulators PURDUE PHARMA L.P. (US) 2015-07-21 US disclosed
US-20140045830-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2014-02-13 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 (1 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-20140045830-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QPCT, UBXN1, NQO2 MAPT 3443/4885ALDH1A1 1232/4885KDM4E 785/4885

“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.