SCHEMBL19729281

SCHEMBL19729281

CC(=O)CC(c1ccccc1)N(C(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
ALOX5 P09917 1/20 0.40
KCNA5 P22460 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MEN1 O00255 2/20 0.38
ALB P02768 1/20 0.38
CYP2C9 P11712 1/20 0.38
PCSK7 Q16549 1/20 0.38
HSD17B10 Q99714 1/20 0.38
VKORC1 Q9BQB6 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL19729279 0.87 GABBR2 (0.46) ALDH1A1MAPTCHRNB2CHRNB4CHRNA3
SCHEMBL19729276 0.84 ESR1 (0.41) ALDH1A1KDM4EMAPTLMNACYP2C9
SCHEMBL8605476 0.81 CHRNB2 (0.53) ALDH1A1KDM4EMAPTKMT2ALMNA
SCHEMBL22383982 0.77 FFAR1 (0.43) ALDH1A1MAPTKMT2ALMNACHRNB2
SCHEMBL11484603 0.75 FFAR1 (0.53) ALDH1A1KDM4EMAPT
SCHEMBL1149769 0.75 FFAR1 (0.53) ALDH1A1KDM4EMAPT
SCHEMBL1149358 0.75 FFAR1 (0.53) ALDH1A1KDM4EMAPT
SCHEMBL27685191 0.75 LMNA (0.45) MAPTKMT2ALMNAMEN1HTR2A
SCHEMBL7368779 0.75 TDP1 (0.46) ALDH1A1KDM4EKMT2AMEN1HTR2A
SCHEMBL109205 0.74 LMNA (0.53) ALDH1A1KDM4EMAPTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2023-06-15 US disclosed
US-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2017-12-21 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 (2 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-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY POLRMT, NT5C3B, CHMP4B ALDH1A1 3359/4885KDM4E 4004/4885MAPT 997/4885
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY POLRMT, NT5C3B, CHMP4B ALDH1A1 3359/4885KDM4E 4004/4885MAPT 997/4885

“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.