SCHEMBL3558573

SCHEMBL3558573

CC(C)NC(=O)C1CC2CC(C1)c1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.52
ALOX15 P16050 1/20 0.52
RECQL P46063 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM1A O60341 1/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 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
SCHEMBL3568256 0.77 CHRNB4 (0.40) USP2ALOX15CHRNB4CHRNA3HPGD
SCHEMBL16437470 0.70 CHRNB2 (0.58) USP2ALOX15RECQLCHRNB2CHRNB4
SCHEMBL27125632 0.70 CHRNB2 (0.58) USP2ALOX15RECQLCHRNB2CHRNB4
SCHEMBL15541418 0.70 CHRNB2 (0.58) USP2ALOX15RECQLCHRNB2CHRNB4
SCHEMBL16437480 0.70 CHRNB2 (0.58) USP2ALOX15RECQLCHRNB2CHRNB4
SCHEMBL23768192 0.70 P2RX7 (0.49) RECQLPOLB
SCHEMBL20227653 0.70 CYP3A4 (0.51) USP2ALOX15RECQLPOLBLMNA
SCHEMBL29946774 0.70 ALDH1A1 (0.42) LMNAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL14753919 0.69 CHRNB2 (0.56) USP2ALOX15RECQLCHRNB2CHRNB4
SCHEMBL21501968 0.69 CHRNB2 (0.56) USP2ALOX15RECQLCHRNB2CHRNB4

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-7820648-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2010-10-26 US disclosed
US-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC 2008-09-25 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-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH CCNB1, TYMS, CCNA1 USP2 4468/4885ALOX15 3704/4885RECQL 232/4885

“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.