SCHEMBL5092302

SCHEMBL5092302

CC(C)=CCCC(C)=CC[CH]/C=C(\C)CCC=C(C)C

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 3/20 0.57
ALOX15 P16050 3/20 0.56
MEN1 O00255 2/20 0.56
CYP3A4 P08684 2/20 0.56
MAPT P10636 2/20 0.54
UGT1A1 P22309 1/20 0.54
SQLE Q14534 7/20 0.52
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
PGR P06401 1/20 0.50
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL73977 1.00 KMT2A (0.60) KMT2AALDH1A1ALOX15MEN1CYP3A4
SCHEMBL158028 1.00 KMT2A (0.60) KMT2AALDH1A1ALOX15MEN1CYP3A4
SCHEMBL3273420 0.98 KMT2A (0.64) KMT2AALDH1A1ALOX15MEN1CYP3A4
SCHEMBL4780329 0.98 KMT2A (0.64) KMT2AALDH1A1ALOX15MEN1CYP3A4
SCHEMBL2230713 0.98 KMT2A (0.64) KMT2AALDH1A1ALOX15MEN1CYP3A4
SCHEMBL2229412 0.98 KMT2A (0.64) KMT2AALDH1A1ALOX15MEN1CYP3A4
SCHEMBL1905061 0.98 KMT2A (0.64) KMT2AALDH1A1ALOX15MEN1CYP3A4
SCHEMBL7776391 0.98 KMT2A (0.64) KMT2AALDH1A1ALOX15MEN1CYP3A4
SCHEMBL709979 0.98 KMT2A (0.64) KMT2AALDH1A1ALOX15MEN1CYP3A4
SCHEMBL6924137 0.94 KMT2A (0.64) KMT2AALDH1A1ALOX15MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348017-B2 Dithiazole compounds, matrix metalloprotease inhibitors and external preparations for the skin SHISEIDO CO., LTD. (JP) 2008-03-25 US disclosed
US-20040236111-A1 Dithiazole compounds, matrix metalloprotease inhibitors and external preparations for the skin SHISEIDO CO., LTD. (JP) 2004-11-25 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-20040236111-A1 Dithiazole compounds, matrix metalloprotease inhibitors and external preparations for the skin MMP1, MMP2, MMP3 KMT2A 2099/4885ALDH1A1 253/4885ALOX15 814/4885

“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.