SCHEMBL6730246

SCHEMBL6730246

COC(=O)C1(CSCCCOc2ccc(-c3ccccc3)cc2)CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 8/20 0.46
▸ HDAC2 Q92769 8/20 0.46
▸ HDAC3 O15379 7/20 0.46
▸ HDAC4 P56524 7/20 0.46
▸ HDAC7 Q8WUI4 7/20 0.46
▸ HDAC10 Q969S8 7/20 0.46
▸ HDAC11 Q96DB2 7/20 0.46
▸ HDAC8 Q9BY41 7/20 0.46
▸ HDAC6 Q9UBN7 7/20 0.46
▸ HDAC9 Q9UKV0 7/20 0.46
▸ HDAC5 Q9UQL6 7/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 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
SCHEMBL6737986 0.89 MMP13 (0.49) ALDH1A1LMNAMAPTHTTMMP3
SCHEMBL6730211 0.80 HDAC3 (0.46) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL28749443 0.78 ALDH1A1 (0.47) ALDH1A1RAB9ALMNACYP1A2CYP3A4
SCHEMBL6731754 0.77 USP2 (0.47) ALDH1A1MMP3EPHX2MMP2MMP8
SCHEMBL6732607 0.75 CYP4F2 (0.44) CYP3A4CYP2C9CYP2C19
SCHEMBL6727259 0.70 MMP1 (0.43) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6727248 0.69 MMP13 (0.52) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL13273383 0.69 PLA2G4B (0.68) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL23164095 0.68 LMNA (0.48) ALDH1A1RAB9ALMNACYP1A2CYP3A4
SCHEMBL6732559 0.68 MMP13 (0.53) ALDH1A1LMNAMAPTHTTMMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6680338-B2 MATRIX METALLOPROTEINASE AND TUMOR NECROSIS FACTOR INHIBITORS; ANTICARCINOGENIC AGENTS; RHEUMATOID ARTHRITIS DARWIN DISCOVERY LTD. (GB) 2004-01-20 — — US claimed
US-20030236416-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2003-12-25 — — US claimed
EP-1053233-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2000-11-22 — — EP claimed
WO-1999040080-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 1999-08-12 — — WO claimed
US-20040127717-A1 Hydroxamic and carboxylic acid derivatives MONTANA JOHN GARY (GB) 2004-07-01 — — US disclosed
US-6680048-B2 CELLOBIOSE ESTERS AND PARTICULARLY ALPHA CELLOBIOSE OCTANONANOATE; USE AS THICKENERS TO STRUCTURE WATER-IMMISCIBLE LIQUIDS FOR PERSONAL CARE PRODUCTS UNILEVER HOME & PERSONAL CARE USA, A DIVISION OF CONOPCO, INC. 2004-01-20 — — US disclosed
US-6680338-B2 MATRIX METALLOPROTEINASE AND TUMOR NECROSIS FACTOR INHIBITORS; ANTICARCINOGENIC AGENTS; RHEUMATOID ARTHRITIS DARWIN DISCOVERY LTD. (GB) 2004-01-20 — — US disclosed
US-20030236416-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2003-12-25 — — US disclosed
EP-1053233-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LTD (GB) 2003-08-20 — — EP disclosed
US-20020076385-A1 Esters UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO INC. 2002-06-20 — — US disclosed
EP-1199311-A1 Cellobiose octanonanoate UNILEVER PLC (GB) 2002-04-24 — — EP disclosed
EP-1053233-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2000-11-22 — — EP disclosed
WO-1999040080-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 1999-08-12 — — 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 (3 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-20030236416-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HCAR1, HCAR2, HCAR3 HDAC1 60/4885HDAC2 132/4885HDAC3 22/4885
US-20040127717-A1 Hydroxamic and carboxylic acid derivatives HCAR1, HCAR2, CBR1 HDAC1 54/4885HDAC2 125/4885HDAC3 25/4885
US-20020076385-A1 Esters OSTC, FUT6, O60361 HDAC1 2182/4885HDAC2 2935/4885HDAC3 2116/4885

“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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