SCHEMBL929734

SCHEMBL929734

COc1cccc(C=O)c1O.COc1cccc(C=O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 8/20 1.00
▸ TLR2 O60603 1/20 1.00
▸ TLR1 Q15399 1/20 1.00
▸ TLR6 Q9Y2C9 1/20 1.00
▸ CA12 O43570 1/20 0.59
▸ KDM4E B2RXH2 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ ALOX12 P18054 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ RECQL P46063 1/20 0.57

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
SCHEMBL16004 1.00 ERN1 (1.00) ERN1TLR2TLR1TLR6CA12
SCHEMBL30485148 1.00 ERN1 (1.00) ERN1TLR2TLR1TLR6CA12
SCHEMBL11407272 0.98 ERN1 (0.96) ERN1TLR2TLR1TLR6CA12
SCHEMBL4450612 0.98 ERN1 (0.96) ERN1TLR2TLR1TLR6CA12
Ethylene SCHEMBL28629154 0.96 ERN1 (0.93) ERN1TLR2TLR1TLR6CA12
Methylamine SCHEMBL28936774 0.96 ERN1 (0.93) ERN1TLR2TLR1TLR6CA12
SCHEMBL28121343 0.93 ERN1 (0.86) ERN1TLR2TLR1TLR6CA12
SCHEMBL29105898 0.91 ERN1 (0.83) ERN1TLR2TLR1TLR6CA12
Ethylenediamine SCHEMBL9276378 0.91 ERN1 (0.83) ERN1TLR2TLR1TLR6CA12
Ethylenediamine SCHEMBL28296472 0.91 ERN1 (0.83) ERN1TLR2TLR1TLR6CA12

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
CN-109705113-A A method of using catechol as the fully synthetic berberrubine of raw material 沈阳化工大学 2019-05-03 — — CN disclosed
US-20110033540-A1 POLYMER FORMULATIONS FOR DELIVERY OF BIOACTIVE AGENTS CARBYLAN THERAPEUTICS, INC. 2011-02-10 — — US disclosed
US-20110015108-A1 Aqueous Buffered Fluoride-Containing Etch Residue Removers and Cleaners AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-01-20 — — US disclosed
US-6245936-B1 MIXING PHENOLIC COMPOUNDS CARRYING FORMYL OR HYDROXYMETHYL GROUP, ONE IN 2 POSITION AND ONE IN 4 POSITION, SELECTIVELY OXIDIZING GROUP IN 2 POSITION TO CARBOXY GROUP, HYDROXYMETHYL GROUP IN 4 POSITION TO FORMYL GROUP, RECOVERING MIXTURE RHODIA CHIMIE (FR) 2001-06-12 — — US disclosed
US-6184421-B1 SELECTIVE OXIDATION, TO A CARBOXY GROUP, OF THE GROUP IN THE 2 POSITION WITH RESPECT TO THE HYDROXYL GROUPS OF A MIXTURE OF PHENOLS HAVING FORMYL AND/OR HYDROXYMETHYL GROUPS IN POSITIONS 2 OR 4; PREPARING VANILLIN AND ETHYL VANILLIN RHODIA CHIMIE (FR) 2001-02-06 — — 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-20110033540-A1 POLYMER FORMULATIONS FOR DELIVERY OF BIOACTIVE AGENTS BMP2, BMP6, BMP4 ERN1 3237/4885TLR2 3766/4885TLR1 3659/4885

“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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