SCHEMBL4589933

SCHEMBL4589933

CC(C)C(C)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KEAP1 Q14145 1/20 0.39
TSHR P16473 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 3/20 0.33
PKM P14618 2/20 0.33
KMT2A Q03164 2/20 0.33
PGR P06401 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
MC4R P32245 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL12260372 1.00 ALOX5 (0.44) ALOX5CES2CES1KEAP1TSHR
SCHEMBL24925796 0.81 ALOX5 (0.46) ALOX5CES2CES1KEAP1TSHR
SCHEMBL11329381 0.79
SCHEMBL2030838 0.79 ALOX5 (0.47) ALOX5CES2CES1KEAP1TSHR
SCHEMBL79717 0.79
SCHEMBL8800920 0.78 ALOX5 (0.43) ALOX5CES2CES1KEAP1TSHR
SCHEMBL21291340 0.78 ALOX5 (0.40) ALOX5CES2CES1KEAP1TSHR
SCHEMBL12111131 0.78 ALOX5 (0.40) ALOX5CES2CES1KEAP1TSHR
SCHEMBL8587037 0.77
Ammonia Solution, Strong SCHEMBL355659 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178359-B Heterocyclic substitution-based disulfide derivative, preparation method and application thereof 贵州大学 2024-09-13 CN disclosed
CN-116178359-A Heterocyclic substitution-based disulfide derivative, preparation method and application thereof 贵州大学 2023-05-30 CN disclosed
US-11318137-B2 Quinazoline compounds as modulators of Ras signaling VANDERBILT UNIVERSITY (US) 2022-05-03 US disclosed
WO-2021087193-A1 PHTHALONITRILE RESINS, METHODS OF MAKING SAME AND COMPOSITIONS THEREOF HUNTSMAN ADVANCED MATERIALS AMERICAS LLC (US) 2021-05-06 WO disclosed
US-20200253974-A1 QUINAZOLINE COMPOUNDS AS MODULATORS OF RAS SIGNALING VANDERBILT UNIVERSITY 2020-08-13 US disclosed
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-8053378-B2 Modified phenolic resin, epoxy resin composition containing the same, and prepreg containing the composition MITSUI CHEMICALS, INC. (JP) 2011-11-08 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 US disclosed
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-07-03 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20060161008-A1 Chloromethylation of thiophene, using aqueous concentrated hydrochloric acid, gaseous hydrogen chloride and paraformaldehyde, in the presence of acetone or methyl-ethyl-ketone or methyl-isobutyl-ketone to produce 2-chloro-methyl-thiophene SANOFI (FR) 2006-07-20 US disclosed
EP-1392672-B1 CHLOROMETHYLATION OF THIOPHENE SANOFI AVENTIS (FR) 2005-05-04 EP disclosed
EP-1392672-A1 CHLOROMETHYLATION OF THIOPHENE Sanofi-Aventis (FR) 2004-03-03 EP disclosed
WO-2002094806-A1 CHLOROMETHYLATION OF THIOPHENE SANOFI-SYNTHELABO (FR) 2002-11-28 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 (8 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 ALOX5 1891/4885CES2 2536/4885CES1 849/4885
US-20200253974-A1 QUINAZOLINE COMPOUNDS AS MODULATORS OF RAS SIGNALING NRAS, KRAS, MAVS ALOX5 4040/4885CES2 4609/4885CES1 3908/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ALOX5 1281/4885CES2 969/4885CES1 651/4885
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALOX5 1281/4885CES2 969/4885CES1 651/4885
US-20060161008-A1 Chloromethylation of thiophene, using aqueous concentrated hydrochloric acid, gaseous hydrogen chloride and paraformaldehyde, in the presence of acetone or methyl-ethyl-ketone or methyl-isobutyl-ketone to produce 2-chloro-methyl-thiophene TPMT, MCCC2, MGMT ALOX5 1894/4885CES2 341/4885CES1 752/4885
US-11318137-B2 Quinazoline compounds as modulators of Ras signaling NRAS, KRAS, MAVS ALOX5 4040/4885CES2 4609/4885CES1 3908/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALOX5 1281/4885CES2 969/4885CES1 651/4885
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 ALOX5 1245/4885CES2 903/4885CES1 669/4885

“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.