SCHEMBL2722808

SCHEMBL2722808

C[C](C)c1c(C)cc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TPMT P51580 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
ACHE P22303 2/20 0.36
SELL P14151 1/20 0.36
SELP P16109 1/20 0.36
SELE P16581 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36

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
SCHEMBL918995 0.81 RAPGEF4 (0.41) RAPGEF4KDM4EALDH1A1LMNAGAA
SCHEMBL918994 0.81 RAPGEF4 (0.41) RAPGEF4KDM4EALDH1A1LMNAGAA
SCHEMBL2848308 0.78 RAPGEF4 (0.43) RAPGEF4KDM4EALDH1A1LMNAGAA
SCHEMBL21870 0.77 KDM4E (0.55) KDM4EALDH1A1LMNAMAPTL3MBTL1
SCHEMBL698413 0.77 KDM4E (0.46) KDM4EALDH1A1LMNAMAPTL3MBTL1
SCHEMBL4334415 0.77 RAPGEF4 (0.38) RAPGEF4KDM4EALDH1A1LMNAGAA
SCHEMBL377596 0.77 KDM4E (0.55) KDM4EALDH1A1LMNAMAPTL3MBTL1
SCHEMBL13756307 0.77 RAPGEF4 (0.38) RAPGEF4KDM4EALDH1A1LMNAGAA
SCHEMBL4729778 0.77 RAPGEF4 (0.38) RAPGEF4KDM4EALDH1A1LMNAGAA
SCHEMBL29162869 0.77 PRSS1 (0.39) RAPGEF4KDM4EALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
EP-2632929-A1 N-HETEROCYCLIC CARBENE COMPLEXES, THEIR PREPARATION AND USE BASF SE (DE) 2013-09-04 EP disclosed
WO-2012056419-A1 N-HETEROCYCLIC CARBENE COMPLEXES, THEIR PREPARATION AND USE BASF SE (DE) 2012-05-03 WO disclosed
US-7002010-B2 Process for the preparation of morpholinones as light stabilizers CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-02-21 US disclosed
US-20040024252-A1 Process for the preparation of morpholinones as light stabilizers CIBA SPECIALTY CHEMICALS CORP. 2004-02-05 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 (3 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-20040024252-A1 Process for the preparation of morpholinones as light stabilizers TMT1A, SEM1, MITF RAPGEF4 4706/4885KDM4E 167/4885ALDH1A1 34/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 RAPGEF4 998/4885KDM4E 4342/4885ALDH1A1 151/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 RAPGEF4 998/4885KDM4E 4342/4885ALDH1A1 151/4885

“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.