SCHEMBL25009808

SCHEMBL25009808

CCC(CC)(NC(C)=O)c1ccccccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KCNN4 O15554 2/20 0.44
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL1144390 0.90 CYP2C19 (0.49) RECQLALDH1A1KCNN4CYP2C19HIF1A
SCHEMBL1144509 0.90 CYP2C19 (0.49) RECQLALDH1A1KCNN4CYP2C19HIF1A
SCHEMBL14411529 0.81 LMNA (0.41) RECQLKCNN4CYP2C19HIF1AMAPT
SCHEMBL12666546 0.81 HDAC1 (0.46) RECQLKCNN4CYP2C19HIF1AMAPT
SCHEMBL9613930 0.81 RECQL (0.44) RECQLALDH1A1KCNN4CYP2C19HIF1A
SCHEMBL29393902 0.79 NAPRT (0.44) RECQLALDH1A1KCNN4CYP2C19HIF1A
SCHEMBL28685723 0.79 NAPRT (0.44) RECQLALDH1A1KCNN4CYP2C19HIF1A
SCHEMBL7868749 0.79 ALDH1A1 (0.54) ALDH1A1KCNN4CYP2C19HIF1AKMT2A
SCHEMBL5987372 0.79 CA1 (0.38) RECQLALDH1A1MAPTL3MBTL1HDAC1
SCHEMBL9829583 0.78 CXCR2 (0.42) RECQLALDH1A1KCNN4CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230044430-A1 COMPOSITION AND METHOD FOR MODIFYING POLYPEPTIDES KRANTZ ALEXANDER (US) 2023-02-09 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-20230044430-A1 COMPOSITION AND METHOD FOR MODIFYING POLYPEPTIDES PTMS, SRMS, ACP1 RECQL 3346/4885ALDH1A1 3789/4885KCNN4 4842/4885

“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.