SCHEMBL20199908

SCHEMBL20199908

CCCCCCCC(=O)O[C@]1(C)C(=O)C=C2C=C(C)OC=C2C1=O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.62
▸ MEN1 O00255 9/20 0.62
▸ KMT2A Q03164 9/20 0.62
▸ POLB P06746 5/20 0.62
▸ PTPN11 Q06124 1/20 0.55
▸ RECQL P46063 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ THRB P10828 1/20 0.55
▸ CACNA1B Q00975 1/20 0.51
▸ APBA1 Q02410 1/20 0.51
▸ PSMD14 O00487 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ BCL2L1 Q07817 1/20 0.50
▸ MCL1 Q07820 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL6366094 0.87 MAPT (0.78) MAPTMEN1KMT2APOLBRECQL
SCHEMBL31081076 0.61 GAA (0.40) MAPTMEN1KMT2APOLBRECQL
SCHEMBL27850620 0.60 DGKA (0.50) MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL4474219 0.58 DGKA (0.56) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL5204092 0.55 DGKA (0.75) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL740818 0.55 DGKA (0.61) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL23302218 0.55 DGKA (0.61) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL24287 0.55 DGKA (0.75) MAPTMEN1KMT2AALDH1A1KDM4E
Hexane SCHEMBL1421218 0.55 DGKA (0.75) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8326852 0.55 DGKA (0.75) MAPTMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180146683-A1 NEW PRODUCT ALPHA BIOPESTICIDES LIMITED (GB) 2018-05-31 — — 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-20180146683-A1 NEW PRODUCT CYP51A1, ERG28, FASN MAPT 3981/4885MEN1 3789/4885KMT2A 2122/4885

“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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