SCHEMBL13894203

SCHEMBL13894203

CC1CC(OC(=O)c2ccccc2)CC(C)(C)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.71
ALDH1A1 P00352 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
NR1I2 O75469 1/20 0.64
ABCB11 O95342 1/20 0.64
GAA P10253 1/20 0.58
TSHR P16473 2/20 0.52
CHRNA7 P36544 3/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL6910054 0.92 LMNA (0.68) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL6910053 0.92 LMNA (0.68) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL6909183 0.92 LMNA (0.68) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL6909186 0.92 LMNA (0.68) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL6910050 0.92 LMNA (0.68) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL3846512 0.88 ALDH1A1 (0.84) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL6905580 0.88 ALDH1A1 (0.84) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL6908933 0.88 ALDH1A1 (0.84) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL3846508 0.88 ALDH1A1 (0.84) LMNAALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL6907927 0.88 ALDH1A1 (0.84) LMNAALDH1A1CYP3A4CYP1A2CYP2C9

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-20140350453-A1 BONDING TISSUES AND CROSS-LINKING PROTEINS WITH NAPHTHALIMIDE COMPOUNDS ALUMEND, LLC (US) 2014-11-27 US disclosed
US-8632565-B2 Bonding tissues and cross-linking proteins with naphthalimide compounds ALUMEND, LLC (US) 2014-01-21 US disclosed
US-20130230472-A1 BONDING TISSUES AND CROSS-LINKING PROTEINS WITH NAPHTHALIMIDE COMPOUNDS ALUMEND, LLC (US) 2013-09-05 US disclosed
US-20130165970-A1 BONDING TISSUES AND CROSS-LINKING PROTEINS WTH NAPHTHALIMIDE COMPOUNDS ALUMEND, LLC (US) 2013-06-27 US disclosed
US-7514399-B2 Use in tissue bonding and protein cross-linking and use in tissue and arterial repair, preservation of expanded internal luminal diameters, and local delivery of drugs, skin care materials, sunscreens, and cosmetics PHOTOBIOMED CORPORATION (US) 2009-04-07 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-20140350453-A1 BONDING TISSUES AND CROSS-LINKING PROTEINS WITH NAPHTHALIMIDE COMPOUNDS SUN2, TAGLN2, DCLRE1A LMNA 436/4885ALDH1A1 1245/4885CYP3A4 3810/4885
US-20130230472-A1 BONDING TISSUES AND CROSS-LINKING PROTEINS WITH NAPHTHALIMIDE COMPOUNDS SUN2, TAGLN2, DCLRE1A LMNA 436/4885ALDH1A1 1245/4885CYP3A4 3810/4885

“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.