SCHEMBL6742672

SCHEMBL6742672

CCCC(=O)Oc1ccc(/C=C/C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 1/20 0.50
▸ CTNNB1 P35222 1/20 0.50
▸ KMT2A Q03164 8/20 0.47
▸ EGFR P00533 3/20 0.45
▸ ERBB2 P04626 3/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ HIF1A Q16665 2/20 0.43
▸ EPAS1 Q99814 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL6742203 0.83 KDM4E (0.44) BCL9CTNNB1KMT2AEGFRERBB2
SCHEMBL6792937 0.81 BCL9 (0.53) BCL9CTNNB1KMT2AEGFRERBB2
SCHEMBL6742049 0.81 ALOX15 (0.51) ALDH1A1MAPTHTTKDM4EGAA
SCHEMBL1703804 0.81 BCL9 (0.55) BCL9CTNNB1KMT2AEGFRERBB2
SCHEMBL3614708 0.80 THRB (0.58) BCL9CTNNB1KMT2AEGFRERBB2
SCHEMBL20581562 0.80 KMT2A (0.64) BCL9CTNNB1KMT2AEGFRERBB2
SCHEMBL3614705 0.80 THRB (0.58) BCL9CTNNB1KMT2AEGFRERBB2
SCHEMBL11023644 0.80 BCL9 (0.70) BCL9CTNNB1KMT2AALDH1A1MAPT
SCHEMBL1665645 0.79 KMT2A (0.74) BCL9CTNNB1KMT2AEGFRERBB2
SCHEMBL6742585 0.79 LMNA (0.62) KMT2AALDH1A1MAPTLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 — — US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 — — US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 — — US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 — — 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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 BCL9 1071/4885CTNNB1 3295/4885KMT2A 2486/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 BCL9 4087/4885CTNNB1 4610/4885KMT2A 4046/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 BCL9 1143/4885CTNNB1 3174/4885KMT2A 2406/4885

“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.

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