SCHEMBL2999532

SCHEMBL2999532

COc1cc(OC)cc(Oc2ccccc2C=O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.77
ALDH1A1 P00352 3/20 0.77
CYP1A2 P05177 2/20 0.77
CYP2C9 P11712 1/20 0.77
CYP2C19 P33261 1/20 0.77
NPSR1 Q6W5P4 1/20 0.70
GAA P10253 2/20 0.65
KMT2A Q03164 1/20 0.65
HPGD P15428 3/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
SRC P12931 2/20 0.47
ERN1 O75460 2/20 0.47
TLR2 O60603 1/20 0.47
TLR1 Q15399 1/20 0.47
TLR6 Q9Y2C9 1/20 0.47
TTR P02766 1/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL8393465 0.90 LMNA (0.73) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1200307 0.87 ALDH1A1 (1.00) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL31599176 0.81 LMNA (0.88) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2074740 0.79 ALDH1A1 (0.68) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7909540 0.79 ABCB1 (0.56) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL95238 0.79 LMNA (1.00) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL29361707 0.79 LMNA (1.00) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
Benzene SCHEMBL27888748 0.79 LMNA (1.00) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL15903754 0.79 NPSR1 (0.65) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
2-Methoxybenzaldehyde SCHEMBL8469378 0.78 ALDH1A1 (0.66) LMNAALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394794-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-03-12 US disclosed
US-20100197686-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2010-08-05 US disclosed
WO-2008118802-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-10-02 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-20100197686-A1 THERAPEUTIC COMPOUNDS ABCC1, ABCB1, MCL1 LMNA 4541/4885ALDH1A1 266/4885CYP1A2 2715/4885

“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.