SCHEMBL21933489

SCHEMBL21933489

COc1cc(C=O)c(Cc2ccc(C)cc2)c(C=O)c1O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 16/20 0.54
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41
KMT2A Q03164 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
SCHEMBL28598391 0.83 ERN1 (0.44) ERN1LMNAMAPTALDH1A1HPGD
SCHEMBL24176913 0.83 ERN1 (0.42) ERN1LMNAMAPTALDH1A1HPGD
SCHEMBL16978281 0.80 ERN1 (0.51) ERN1LMNAMAPTALDH1A1TLR2
SCHEMBL15535074 0.78 ERN1 (0.49) ERN1LMNAMAPTALDH1A1TLR2
SCHEMBL24176895 0.78 LMNA (0.43) ERN1LMNAMAPTALDH1A1HPGD
SCHEMBL15535007 0.75 ERN1 (0.59) ERN1LMNAMAPTALDH1A1TLR2
SCHEMBL15547540 0.74 ERN1 (0.62) ERN1LMNAMAPTALDH1A1TLR2
SCHEMBL28675718 0.74 ERN1 (0.50) ERN1LMNAMAPTTLR2TLR1
SCHEMBL7409495 0.74 ERN1 (0.46) ERN1LMNAMAPTALDH1A1
SCHEMBL7417469 0.74 ERN1 (0.48) ERN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002232-A1 PROCESS FOR THE PREPARATION OF 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE ORION CORPORATION (FI) 2022-01-06 US claimed
EP-3877360-A1 PROCESS FOR THE PREPARATION OF 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE Orion Corporation (FI) 2021-09-15 EP claimed
CN-113166042-A Method for preparing 4, 5-dihydroxy-2- (4-methylbenzyl) isophthalonitrile 奥赖恩公司 2021-07-23 CN claimed
US-20220002232-A1 PROCESS FOR THE PREPARATION OF 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE ORION CORPORATION (FI) 2022-01-06 US disclosed
US-20220002232-A1 PROCESS FOR THE PREPARATION OF 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE ORION CORPORATION (FI) 2022-01-06 US disclosed
US-20220002232-A1 PROCESS FOR THE PREPARATION OF 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE ORION CORPORATION (FI) 2022-01-06 US disclosed
EP-3877360-A1 PROCESS FOR THE PREPARATION OF 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE Orion Corporation (FI) 2021-09-15 EP disclosed
EP-3877360-A1 PROCESS FOR THE PREPARATION OF 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE Orion Corporation (FI) 2021-09-15 EP disclosed
CN-113166042-A Method for preparing 4, 5-dihydroxy-2- (4-methylbenzyl) isophthalonitrile 奥赖恩公司 2021-07-23 CN disclosed
CN-113166042-A Method for preparing 4, 5-dihydroxy-2- (4-methylbenzyl) isophthalonitrile 奥赖恩公司 2021-07-23 CN disclosed
WO-2020094928-A1 PROCESS FOR THE PREPARATION OF 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE ORION CORPORATION (FI) 2020-05-14 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-20220002232-A1 PROCESS FOR THE PREPARATION OF 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE COMT, DDT, HPD ERN1 4520/4885LMNA 3433/4885MAPT 3616/4885

“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.