SCHEMBL2330441

SCHEMBL2330441

CCCCc1cc2cc(O)ccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.58
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
BRCA1 P38398 1/20 0.46
CASP7 P55210 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TYR P14679 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
FLT3 P36888 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
MAOB P27338 2/20 0.43

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
SCHEMBL2271571 0.94 ALOX15 (0.63) ALOX15ALDH1A1GAAKDM4ELMNA
SCHEMBL2270748 0.90 ALOX15 (0.50) ALOX15ALDH1A1GAAKDM4ELMNA
SCHEMBL6741629 0.87 ALOX15 (0.55) ALOX15ALDH1A1GAAKDM4EGLA
SCHEMBL2270984 0.82 KDM4E (0.51) ALDH1A1GAAKDM4ELMNAGLA
SCHEMBL12370192 0.81 TLR8 (0.44) ALOX15ALDH1A1F2F10MAOB
SCHEMBL5225410 0.81 CA12 (0.47) ALOX15F2F10TLR8CA12
SCHEMBL2333763 0.80 CYP19A1 (0.47) ALOX15F2F10MAOATLR8
SCHEMBL284155 0.80 TLR8 (0.50) ALOX15FLT3F2F10MAOA
SCHEMBL2331524 0.80 KMT2A (0.55) ALOX15ALDH1A1KDM4EF2F10
SCHEMBL2327940 0.80 TLR8 (0.43) ALOX15F2F10TLR8CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130046103-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES MAPI PHARMA LIMITED (IL) 2013-02-21 US disclosed
EP-2533636-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES Mapi Pharma Limited (IL) 2012-12-19 EP disclosed
CN-102753018-A Preparation of benzofurans and their use as synthetic intermediates MAPI PHARMA HOLDINGS CYPRUS LTD 2012-10-24 CN disclosed
WO-2012062918-A1 PROCESS FOR THE PREPARATION OF 3-AROYL-5-AMINOBENZOFURAN DERIVATIVES LEK PHARMACEUTICALS D.D. (SI) 2012-05-18 WO disclosed
WO-2011099010-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES MAPI PHARMA HOLDINGS (CYPRUS) LIMITED (CY) 2011-08-18 WO disclosed
US-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'OREAL S.A. (FR) 2010-11-04 US disclosed
US-20040086983-A1 Method for producing a heterocyclic compound and an aromatic carboxylic acid having one or more hydroxyl groups, and modified aromatic ring dioxygenase MARINE BIOTHECHNOLOGY INSTITUTE., LTD. (JP) 2004-05-06 US disclosed
CN-1054128-C 4-alkoxy-2,6-ditert-butyphynol derivative CHUGAI PHARMACEUTICAL CO LTD (JP) 2000-07-05 CN disclosed
CN-1112115-A 4-alkoxy-2, 6-di-tert-butylphenol derivative CHUGAI PHARMACEUTICAL CO LTD (JP) 1995-11-22 CN disclosed
US-4966907-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS MERCK & CO., INC. (US) 1990-10-30 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 (2 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-20130046103-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES CYP2F1, CYP4F3, CYP2D6 ALOX15 2926/4885ALDH1A1 1830/4885GAA 2136/4885
US-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES KRT18, KRTCAP2, FASN ALOX15 229/4885ALDH1A1 1792/4885GAA 2045/4885

“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.