SCHEMBL4642273

SCHEMBL4642273

COc1ccccc1OC(=O)CCl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
TOP2A P11388 1/20 0.54
MTNR1A P48039 3/20 0.51
MTNR1B P49286 3/20 0.51
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51
TUBB6 Q9BUF5 1/20 0.51
TUBB2B Q9BVA1 1/20 0.51

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
SCHEMBL6691255 0.90 TOP2A (0.45) MAPTALDH1A1L3MBTL1TOP2AMTNR1A
SCHEMBL4644205 0.85 KMT2A (0.54) MAPTALDH1A1L3MBTL1TOP2AMTNR1A
SCHEMBL3105452 0.84 MAPT (0.58) MAPTALDH1A1L3MBTL1MTNR1AMTNR1B
SCHEMBL3361882 0.84 KMT2A (0.59) MAPTALDH1A1L3MBTL1MTNR1AMTNR1B
SCHEMBL30883175 0.82 MAPT (0.57) MAPTALDH1A1L3MBTL1MTNR1AMTNR1B
SCHEMBL4643953 0.82 MAPT (0.57) MAPTALDH1A1L3MBTL1MTNR1AMTNR1B
SCHEMBL362210 0.82 MAPT (0.57) MAPTALDH1A1L3MBTL1MTNR1AMTNR1B
SCHEMBL4646037 0.82 KMT2A (0.51) MAPTALDH1A1L3MBTL1POLBSMN1; SMN2
SCHEMBL4646275 0.81 KMT2A (0.50) MAPTALDH1A1L3MBTL1TOP2APOLB
SCHEMBL9615762 0.81 MAPT (0.55) MAPTALDH1A1L3MBTL1MTNR1AMTNR1B

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 18 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
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed
WO-1998008844-A1 THIAZOLE DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE-IV BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-03-05 WO disclosed
US-4495352-A HYPOTENSIVE AGENTS; VASODILATION; ADRENERGIC BLOCKING ACTION MEAD JOHNSON & COMPANY (US) 1985-01-22 US disclosed
US-4343940-A 6- AND/OR 7-SUBSTITUTED WITH OXIRANYLMETHOXY MEAD JOHNSON & COMPANY (US) 1982-08-10 US disclosed
US-4314943-A ANTIHYPERTENSIVE AGENTS; VASODILATORS MEAD JOHNSON & COMPANY (US) 1982-02-09 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-20220002232-A1 PROCESS FOR THE PREPARATION OF 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE COMT, DDT, HPD MAPT 3616/4885ALDH1A1 167/4885L3MBTL1 3314/4885

“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.