SCHEMBL5229224

SCHEMBL5229224

CC(=O)/C=C/C(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
GLA P06280 1/20 0.48
TRPA1 O75762 3/20 0.47
HCAR2 Q8TDS4 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
LMNA P02545 3/20 0.40
MAPT P10636 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
SRC P12931 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL5229228 1.00 TDP1 (0.48) TDP1GLATRPA1HCAR2CES2
SCHEMBL2347397 0.86 HCAR2 (0.53) TDP1TRPA1HCAR2CES2CES1
SCHEMBL5704861 0.86 HCAR2 (0.53) TDP1TRPA1HCAR2CES2CES1
SCHEMBL8403705 0.82 TRPA1 (0.46) TDP1TRPA1HCAR2CES2CES1
SCHEMBL16091083 0.82 PTGS1 (0.59) TDP1LMNAMAPTCYP2D6HPGD
SCHEMBL28356664 0.82 TDP1 (0.50) TDP1GLAHCAR2CES2CES1
SCHEMBL10994576 0.81 RECQL (0.50) TDP1LMNAMAPTHPGDMAPK1
SCHEMBL10252950 0.81 HTT (0.39) LMNAHPGDCYP1A2KMT2A
SCHEMBL11294495 0.81 BRD4 (0.47) TDP1LMNAMAPTHPGDPOLB
SCHEMBL10994573 0.81 RECQL (0.50) TDP1LMNAMAPTHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439001-B1 Process for producing optically active epoxides TOSOH CORP (JP) 2007-07-25 EP disclosed
EP-1127616-B1 Catalyst for asymmetric epoxidations of enones and process for producing optically active epoxide employing it TOSOH CORP (JP) 2006-05-31 EP disclosed
EP-1366815-B1 Catalyst for asymmetric epoxidations of enones and process for producing optically active epoxide employing it TOSOH CORP (JP) 2005-12-28 EP disclosed
US-6878835-B2 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it TOSOH CORPORATION (JP) 2005-04-12 US disclosed
EP-1439001-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it Tosoh Corporation (JP) 2004-07-21 EP disclosed
US-20040116721-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it TOSOH CORPORATION (JP) 2004-06-17 US disclosed
US-6680275-B2 COMPLEX OF OPTICALLY ACTIVE BINAPHTHOL, LANTHANUM TRIISOPROPOXIDE OXIDE, TRIPHENYLPHOSPHINE OXIDE AND CUMENE OR TERT-BUTYL HYDROPEROXIDE; OPTICAL PURITY; REACTIVITY; STABILITY TOSOH CORPORATION (JP) 2004-01-20 US disclosed
EP-1366815-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it Tosoh Corporation (JP) 2003-12-03 EP disclosed
US-20010051737-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it TOSOH CORPORATION (JP) 2001-12-13 US disclosed
EP-1127616-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it Tosoh Corporation (JP) 2001-08-29 EP disclosed
US-6201123-B1 FOR ASYMMETRIC EPOXIDATION OF ENONES; GIVES EPOXIDES HAVING AN ENHANCED OPTICAL PURITY TECHNO POLYMER CO., LTD. (JP) 2001-03-13 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 (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-20010051737-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it SQLE, ENO1, GPX4 TDP1 3343/4885GLA 1549/4885TRPA1 3413/4885

“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.