SCHEMBL7219667

SCHEMBL7219667

CCC(=O)Nc1ccccc1C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.53
POLB P06746 2/20 0.50
GAA P10253 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
THRB P10828 1/20 0.50
ALOX12 P18054 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 2/20 0.48
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL17549763 0.86 MAPK1 (0.63) ALDH1A1KDM4EPOLBGAATDP1
SCHEMBL10690898 0.86 ALDH1A1 (0.54) ALDH1A1KDM4EPOLBGAATDP1
SCHEMBL7217728 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBGAATDP1
SCHEMBL12243012 0.84 SMN1; SMN2 (0.68) ALDH1A1KDM4EPOLBGAATDP1
SCHEMBL4210730 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBGAATDP1
SCHEMBL7223234 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBGAATDP1
SCHEMBL4778269 0.84 POLB (0.65) ALDH1A1KDM4EPOLBGAATHRB
SCHEMBL14179083 0.83 CA1 (0.59) ALDH1A1KDM4EPOLBGAATDP1
Hydrochloric Acid SCHEMBL6559022 0.83 POLB (0.63) ALDH1A1KDM4EPOLBGAATHRB
SCHEMBL8619629 0.82 MAPK1 (0.60) ALDH1A1KDM4EGAASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US claimed
US-7884107-B2 Human Double Minute 2 (HDM2) protein inhibitors; anticancer agents MERCK (US) 2011-02-08 US disclosed
US-7884107-B2 Human Double Minute 2 (HDM2) protein inhibitors; anticancer agents MERCK (US) 2011-02-08 US disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 US disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 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-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof TP53, MDM2, TP53BP1 ALDH1A1 1827/4885KDM4E 1663/4885POLB 1300/4885

“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.