SCHEMBL5893910

SCHEMBL5893910

Cc1c(C(=O)CBr)ccc(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ PTPN1 P18031 1/20 0.53
▸ MAPK1 P28482 1/20 0.46
▸ PTGER1 P34995 1/20 0.46
▸ FOLH1 Q04609 1/20 0.46
▸ HPGDS O60760 1/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HPD P32754 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ PDE4D Q08499 1/20 0.42
▸ EDNRA P25101 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL21436903 0.89 L3MBTL1 (0.58) L3MBTL1MAPTTDP1SMN1; SMN2CYP2C9
SCHEMBL24983833 0.86 PTGER1 (0.60) L3MBTL1MAPTTDP1SMN1; SMN2CYP2C9
SCHEMBL30141251 0.86 PTGER1 (0.60) L3MBTL1MAPTTDP1SMN1; SMN2CYP2C9
SCHEMBL11817706 0.85 PDE4D (0.52) L3MBTL1MAPTTDP1SMN1; SMN2CYP2C9
SCHEMBL28126089 0.84 MAPT (0.59) L3MBTL1MAPTTDP1SMN1; SMN2CYP2C9
SCHEMBL11113784 0.84 FOLH1 (0.46) L3MBTL1MAPTTDP1SMN1; SMN2CYP2C9
SCHEMBL28361495 0.83 MAPT (0.57) L3MBTL1MAPTTDP1SMN1; SMN2CYP2C9
SCHEMBL21436784 0.82 PTPN1 (0.58) L3MBTL1MAPTTDP1SMN1; SMN2CYP2C9
SCHEMBL30141088 0.82 TDP1 (0.56) L3MBTL1MAPTTDP1SMN1; SMN2CYP2C9
SCHEMBL24983831 0.82 TDP1 (0.56) L3MBTL1MAPTTDP1SMN1; SMN2CYP2C9

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-7135500-B2 Dihydroxymethylphenyl derivatives, processes for preparing them, and their use as pharmaceuticals BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2006-11-14 — — US disclosed
EP-1562892-A1 NOVEL DIHYDROXY-METHYLPHENYL DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-08-17 — — EP disclosed
US-20040138307-A1 Dihydroxymethylphenyl derivatives, processes for preparing them, and their use as pharmaceuticals BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 — — US disclosed
WO-2004046083-A1 NOVEL DIHYDROXY-METHYLPHENYL DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-03 — — WO disclosed
US-4042713-A SYMPATHOMIMETIC BOEHRINGER INGELHEIM GMBH (DT) 1977-08-16 — — US disclosed
US-3969410-A SYMPATHOMIMETICS BOEHRINGER INGELHEIM GMBH (DT) 1976-07-13 — — US disclosed
US-3966814-A PERIPHERAL VASODILATORS, ANTIHISTAMINES, SPASMOLYTICS BOEHRINGER INGELHEIM GMBH (DT) 1976-06-29 — — 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-20040138307-A1 Dihydroxymethylphenyl derivatives, processes for preparing them, and their use as pharmaceuticals CYP1A1, CYP24A1, CYP4B1 L3MBTL1 4618/4885MAPT 4253/4885TDP1 2586/4885

“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.

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