SCHEMBL2670032

SCHEMBL2670032

O=Cc1ccccc1SC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
ALDH1A1 P00352 7/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
PKM P14618 2/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MC4R P32245 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SRC P12931 1/20 0.37
TSHR P16473 1/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35

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
SCHEMBL6763790 0.98 LMNA (0.43) MEN1KMT2ALMNATDP1THRB
SCHEMBL2670043 0.96 LMNA (0.44) MEN1KMT2ALMNATDP1THRB
SCHEMBL2915529 0.91 LMNA (0.46) MEN1KMT2ALMNATDP1THRB
SCHEMBL20495594 0.80 MAOA (0.44) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL30548748 0.80 MAOA (0.44) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL30958574 0.75 ALDH1A1 (0.47) LMNAALDH1A1MAPTHPGDPKM
SCHEMBL202984 0.75 BCL2 (0.41) LMNAALDH1A1MAPTHPGDPKM
Cyclopentanamine SCHEMBL28944901 0.74 KMT2A (0.40) MEN1KMT2ALMNATDP1THRB
SCHEMBL18069256 0.74 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL6926453 0.72 ERN1 (0.48) MEN1KMT2ALMNATDP1ALDH1A1

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
CN-103261133-B Hydrogenation of esters or carbonyl groups with tetradentate amino/imino-hioether based ruthenium complexes FIRMENICH & CIE 2015-04-15 CN disclosed
EP-2526945-A1 New CRTH2 Antagonists Almirall, S.A. (ES) 2012-11-28 EP disclosed
EP-2526945-A1 New CRTH2 Antagonists Almirall, S.A. (ES) 2012-11-28 EP disclosed
US-8168673-B2 Compounds having CRTH2 antagonist activity OXAGEN LIMITED (GB) 2012-05-01 US disclosed
EP-2240444-A1 COMPOUNDS HAVING CRTH2 ANTAGONIST ACTIVITY Oxagen Limited (GB) 2010-10-20 EP disclosed
WO-2009093029-A1 COMPOUNDS HAVING CRTH2 ANTAGONIST ACTIVITY OXAGEN LIMITED (GB) 2009-07-30 WO disclosed
US-20090192195-A1 Compounds Having CRTH2 Antagonist Activity OXAGEN LIMITED (GB) 2009-07-30 US disclosed
US-20040242915-A1 Modified alumina catalyst BIOCON LIMITED (IN) 2004-12-02 US disclosed
US-20040192680-A1 Novel amides that activate soluble guanylate cyclase ABBOTT LABORATORIES 2004-09-30 US disclosed
WO-2004060859-A2 NOVEL AMIDES THAT ACTIVATE SOLUBLE GUANYLATE CYCLASE ABBOTT LABORATORIES (US) 2004-07-22 WO disclosed
US-20040121994-A1 Novel amides that activate soluble guanylate cyclase ABBOTT LABORATORIES 2004-06-24 US disclosed
EP-1427526-A1 MODIFIED ALUMINA CATALYST Biocon Limited (IN) 2004-06-16 EP disclosed
WO-2003024591-A1 MODIFIED ALUMINA CATALYST BIOCON LIMITED (IN) 2003-03-27 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 (4 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-20090192195-A1 Compounds Having CRTH2 Antagonist Activity HRH2, NR3C2, NR2C2 MEN1 4578/4885KMT2A 3044/4885LMNA 4029/4885
US-20040121994-A1 Novel amides that activate soluble guanylate cyclase GUCY1A1, GUCY1B1, GUCY1A2 MEN1 1311/4885KMT2A 3702/4885LMNA 2027/4885
US-20040192680-A1 Novel amides that activate soluble guanylate cyclase GUCY1A1, GUCY1B1, GUCY1A2 MEN1 1311/4885KMT2A 3702/4885LMNA 2027/4885
US-20040242915-A1 Modified alumina catalyst ADH1A, APEX1, AAAS MEN1 1728/4885KMT2A 268/4885LMNA 2428/4885

“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.