SCHEMBL6158433

SCHEMBL6158433

CCCC=[C]c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 1/20 0.32
LTA4H P09960 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
RELA Q04206 1/20 0.31
HTR2A P28223 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL1610832 1.00 APP (0.36) APPNPSR1TSHRTP53NPC1
SCHEMBL4960967 0.87 LTA4H (0.38) APPTSHRTP53HTTSMN1; SMN2
SCHEMBL1611004 0.87 LTA4H (0.38) APPTSHRTP53HTTSMN1; SMN2
SCHEMBL1610492 0.85 LTA4H (0.39) TSHRTP53HTTSMN1; SMN2LTA4H
SCHEMBL7382992 0.85 LTA4H (0.39) TSHRTP53HTTSMN1; SMN2LTA4H
SCHEMBL3939370 0.84 DNM1 (0.41) TSHRTP53HTTSMN1; SMN2LTA4H
SCHEMBL8735182 0.84 DNM1 (0.41) TSHRTP53HTTSMN1; SMN2LTA4H
SCHEMBL26092597 0.84 DNM1 (0.41) TSHRTP53HTTSMN1; SMN2LTA4H
SCHEMBL1610523 0.84 DNM1 (0.41) TSHRTP53HTTSMN1; SMN2LTA4H
SCHEMBL17558059 0.84 DNM1 (0.41) TSHRTP53HTTSMN1; SMN2LTA4H

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
EP-1505156-B1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester CONSORTIUM ELEKTROCHEM IND (DE) 2005-12-07 EP disclosed
US-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2005-02-10 US disclosed
EP-1505156-A1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester Consortium für elektrochemische Industrie GmbH (DE) 2005-02-09 EP disclosed
CN-1022685-C Hydrofluorene derivatives OTSUKA PHARMA CO LTD (JP) 1993-11-10 CN disclosed
EP-0532528-A1 DERIVATIVES OF HYDROXY AND ALKOXY PYRIDINES PFIZER INC. (US) 1993-03-24 EP disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP disclosed
EP-0204285-B1 IMIDAZOHETEROCYCLIC COMPOUNDS PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-15 EP disclosed
CN-1057051-A Hydroxyl and alkoxy pyridine derivative PFIZER (US) 1991-12-18 CN disclosed
WO-1991018881-A1 DERIVATIVES OF HYDROXY AND ALKOXY PYRIDINES PFIZER INC. (US) 1991-12-12 WO disclosed
US-5001136-A Leukotriene-synthesis-inhibiting 2-substitutedmethylamino-5-(hydroxy or alkoxy)pyridines PFIZER INC. (US) 1991-03-19 US disclosed
US-4725601-A Certain imidazo[1,2-a]pyridines useful in the treatment of ulcers FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-16 US disclosed
CN-86104313-A The preparation method of Imidazoheterocyclic compounds 1987-03-04 CN disclosed
EP-0204285-A1 Imidazoheterocyclic compounds processes for preparation thereof and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-12-10 EP 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-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters LIPC, LIPE, LIPA APP 4081/4885NPSR1 3487/4885TSHR 2333/4885

“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.