SCHEMBL6905665

SCHEMBL6905665

[CH]=CC=C(C)CCC=C(C)CCC=C(C)C

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
MAPT P10636 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 2/20 0.59
CYP3A4 P08684 2/20 0.59
ALOX15 P16050 2/20 0.59
UGT1A1 P22309 1/20 0.59
SQLE Q14534 7/20 0.57
KDM4E B2RXH2 1/20 0.53
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
PGR P06401 1/20 0.50

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
SCHEMBL6905662 1.00 KMT2A (0.67) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL6905707 0.96 ALDH1A1 (0.61) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL6905709 0.96 ALDH1A1 (0.61) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL109310 0.82 KMT2A (0.73) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL29059665 0.82 KMT2A (0.73) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL2896117 0.82 KMT2A (0.73) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL2841894 0.82 KMT2A (0.73) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL23802597 0.81 KMT2A (1.00) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL8013144 0.81 KMT2A (1.00) KMT2AMAPTALDH1A1MEN1CYP3A4
Squalene SCHEMBL8819997 0.81 KMT2A (1.00) KMT2AMAPTALDH1A1MEN1CYP3A4

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-6703527-B2 REACTING ALLYL ALCOHOL COMPOUND SUCH AS 2E,6E-3,7,11-TRIMETHYL-2,6,10-DODECATRIEN-1-OL WITH HYDRIDE ACCEPTOR SUCH AS 2-NITROBENZALDEHYDE IN THE PRESENCE OF AN ALUMINIUM ALKOXIDE AS AN OPPENAUER OXIDATION CATALYST NIKKEN CHEMICALS CO., LTD. (JP) 2004-03-09 US disclosed
US-20020198411-A1 Method for oxidation of allyl alcohol NIKKEN CHEMICALS CO., LTD. (JP) 2002-12-26 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-20020198411-A1 Method for oxidation of allyl alcohol ADH1A, ADH1C, ADH5 KMT2A 750/4885MAPT 2027/4885ALDH1A1 11/4885

“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.