SCHEMBL6142873

SCHEMBL6142873

[CH2]OCc1c(C)cc(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HRH3 Q9Y5N1 3/20 0.36
RAPGEF4 Q8WZA2 3/20 0.35
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
KCNH2 Q12809 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL7890511 0.79 HRH3 (0.39) CYP11B1CYP11B2HRH3RAPGEF4HTR1D
SCHEMBL3807690 0.77 HPGD (0.44) CYP11B1CYP11B2HRH3RAPGEF4HTR1D
SCHEMBL8997706 0.76 HRH3 (0.34) CYP11B1CYP11B2HRH3RAPGEF4HTR1D
SCHEMBL6488234 0.75 AGXT (0.44) CYP11B1CYP11B2HRH3RAPGEF4HTR1D
SCHEMBL8725962 0.75 HRH3 (0.36) CYP11B1CYP11B2HRH3RAPGEF4HTR1D
SCHEMBL11783876 0.75 ALDH1A1 (0.38) CYP11B1CYP11B2HRH3RAPGEF4HTR1D
SCHEMBL18461384 0.75 HRH3 (0.36) CYP11B1CYP11B2HRH3RAPGEF4HTR1D
SCHEMBL18458915 0.75 HRH3 (0.36) CYP11B1CYP11B2HRH3RAPGEF4HTR1D
SCHEMBL16241899 0.75 SLC22A12 (0.38) HTR1DALDH1A1LMNAKCNH2
SCHEMBL27983593 0.75 HTR1D (0.37) CYP11B1CYP11B2HRH3RAPGEF4HTR1D

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 119 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933306-B2 Hydroxamic and carboxylic acid derivatives DARWIN DISCOVERY LTD. (GB) 2005-08-23 US disclosed
EP-1030851-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2005-01-12 EP disclosed
US-20040266764-A1 Hydroxamic acid derivatives HANNAH DUNCAN ROBERT 2004-12-30 US disclosed
US-6809100-B2 2-(4-(4-FURAN-2-YLPHENYL)PIPERAZINE-1-SULFONYLMETHYL)-N-HYDROXY -3-METHYLBUTYRAMIDE, FOR EXAMPLE; TREATMENT OF CANCER, INFLAMMATION, OR AN AUTOIMMUNE, INFECTIOUS OR OCULAR DISEASE DARWIN DISCOVERY LTD. (GB) 2004-10-26 US disclosed
US-20040176362-A1 Hydroxamic and carboxylic acid derivatives BATTY DUNCAN (GB) 2004-09-09 US disclosed
US-6787536-B2 A HYDROXAMIC ACID COMPOUND CONTAINING HETEROAROMATIC RING ATTACHED TO SULFONYL GROUP THROUGH NITROGEN ATOM, INHIBITOR OF MATRIX METALLOPRETEINASE, USEFUL FOR TREATING DEGENERATIVE DISEASES AND CERTAIN CANCER DARWIN DISCOVERY LIMITED (GB) 2004-09-07 US disclosed
US-20040127717-A1 Hydroxamic and carboxylic acid derivatives MONTANA JOHN GARY (GB) 2004-07-01 US disclosed
US-6734189-B2 TETRAHYDRO-N-CARBOXYALKYLSULFONYLCARBOLINE DERIVATIVES, USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY INHIBITORS OF MATRIX METALLOPROTEINASE, ADAM, ADAM-TS ENZYMES, AND/OR TNF ALPHA -MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2004-05-11 US disclosed
EP-0968182-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2004-05-06 EP disclosed
US-6706719-B1 COMPOUNDS WHICH HAVE THE PROPERTY OF INHIBITING THE ACTION OF METALLOPROTEINASES INVOLVED IN CONNECTIVE TISSUE BREAKDOWN DARWIN DISCOVERY, LTD. (GB) 2004-03-16 US disclosed
WO-1997012902-A1 THIO-SUBSTITUTED PEPTIDES AS INHIBITORS FOR METALLOPROTEINASES AND TNF LIBERATION DARWIN DISCOVERY LIMITED (GB) 1997-04-10 WO disclosed
WO-1997012861-A1 MERCAPTOAMIDE DERIVATIVES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1997-04-10 WO disclosed
WO-1997012887-A1 PURINE AND GUANINE DERIVATIVES AS PNP INHIBITORS CHIROSCIENCE LIMITED (GB) 1997-04-10 WO disclosed
WO-1996035711-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION, AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 WO disclosed
WO-1996035712-A1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 WO disclosed
WO-1996035687-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-14 WO disclosed
WO-1996035714-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USES CHIROSCIENCE LIMITED (GB) 1996-11-14 WO disclosed
WO-1996011209-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES CHIROSCIENCE LIMITED (GB) 1996-04-18 WO disclosed
WO-1996011200-A1 PURINE AND GUANINE COMPOUNDS AS INHIBITORS OF PNP CHIROSCIENCE LIMITED (GB) 1996-04-18 WO disclosed
WO-1991007378-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1991-05-30 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-20040176362-A1 Hydroxamic and carboxylic acid derivatives ADAM17, ADAM10, ADAM9 CYP11B1 1113/4885CYP11B2 1210/4885HRH3 936/4885
US-20040127717-A1 Hydroxamic and carboxylic acid derivatives HCAR1, HCAR2, CBR1 CYP11B1 886/4885CYP11B2 1141/4885HRH3 78/4885
US-20040266764-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 CYP11B1 2766/4885CYP11B2 2953/4885HRH3 2119/4885

“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.