SCHEMBL16892803

SCHEMBL16892803

C=CCNC/C=C(/C)CC/C=C(\C)CCC=C(C)C

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
ALOX15 P16050 3/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 2/20 0.52
CYP3A4 P08684 2/20 0.52
ALDH1A1 P00352 1/20 0.52
UGT1A1 P22309 1/20 0.52
SQLE Q14534 4/20 0.50
KDM4E B2RXH2 1/20 0.47
FNTA P49354 2/20 0.46
FNTB P49356 2/20 0.46
PGGT1B P53609 1/20 0.46

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
SCHEMBL16892784 1.00 KMT2A (0.57) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL15516075 1.00 KMT2A (0.57) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL31406757 0.90 KMT2A (0.70) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL31406758 0.90 KMT2A (0.70) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL31406762 0.90 KMT2A (0.70) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL2495182 0.88 KMT2A (0.65) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL12635063 0.80 FNTA (0.56) KMT2AFNTAFNTBPGGT1B
SCHEMBL11152268 0.80
SCHEMBL10445540 0.79 KMT2A (0.58) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL10445541 0.79 KMT2A (0.58) KMT2AALOX15MAPTMEN1CYP3A4

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-20160152550-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2,3-DIHYDROFARNESAL TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-06-02 US disclosed
US-9284246-B2 Method for producing optically active 2,3-dihydrofarnesal TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-03-15 US disclosed
US-20150218072-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2,3-DIHYDROFARNESAL TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-08-06 US disclosed
EP-2894143-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2,3-DIHYDROFARNESAL Takasago International Corporation (JP) 2015-07-15 EP 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 (2 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-20150218072-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2,3-DIHYDROFARNESAL FNTB, FNTA, LSS KMT2A 4528/4885ALOX15 181/4885MAPT 3669/4885
US-20160152550-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2,3-DIHYDROFARNESAL FNTB, FNTA, LSS KMT2A 4528/4885ALOX15 181/4885MAPT 3669/4885

“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.