SCHEMBL6494096

SCHEMBL6494096

Cc1c(C(C)(C)C)nn2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
PDE5A O76074 4/20 0.36
PDE4B Q07343 3/20 0.36
MIF P14174 2/20 0.36
PDE3A Q14432 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
PDE4A P27815 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL6629043 0.84 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AKDM4EPDE5A
SCHEMBL12997416 0.81 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6494091 0.80 PDE5A (0.36) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL25024692 0.77 PDE4B (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL25054356 0.77 MMP7 (0.39) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6490727 0.76 PDE5A (0.44) ALDH1A1MEN1KMT2APDE5APDE4B
SCHEMBL25025331 0.75 DRD2 (0.35) ALDH1A1MAPTMEN1KMT2AKDM4E
Benzene SCHEMBL1994406 0.75 EGFR (0.35) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL25024704 0.75 PDE4B (0.38) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL24656168 0.74 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 US disclosed
EP-1373199-A4 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-04-07 EP disclosed
EP-1373199-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) Bristol-Myers Squibb Pharma Company (US) 2004-01-02 EP disclosed
WO-2002074738-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-26 WO 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-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 ALDH1A1 112/4885MAPT 3828/4885MEN1 3127/4885

“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.