SCHEMBL2852926

SCHEMBL2852926

CC(C)=CCC/C(C)=C/CC/C(C)=C/C[O]

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
MAPT P10636 2/20 0.64
MEN1 O00255 2/20 0.64
CYP3A4 P08684 2/20 0.64
ALOX15 P16050 2/20 0.64
ALDH1A1 P00352 2/20 0.64
UGT1A1 P22309 1/20 0.64
SQLE Q14534 6/20 0.61
KDM4E B2RXH2 2/20 0.57
FNTA P49354 1/20 0.57
FNTB P49356 1/20 0.57
ATM Q13315 1/20 0.54

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
SCHEMBL1527772 1.00 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL2852929 1.00 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL532264 0.98 KMT2A (0.68) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL532263 0.98 KMT2A (0.68) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL29645142 0.98 KMT2A (0.68) KMT2AMAPTMEN1CYP3A4ALOX15
Acetaldehyde SCHEMBL27515440 0.91 KMT2A (0.60) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL7299167 0.86 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL7354471 0.86 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL23802597 0.85 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ALOX15
Squalene SCHEMBL8819997 0.85 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017100514-A1 LIPOPHILIC ANALOGS OF CJ-16264, METHODS OF USE, AND SYNTHESIS THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2017-06-15 WO claimed
WO-2017100514-A1 LIPOPHILIC ANALOGS OF CJ-16264, METHODS OF USE, AND SYNTHESIS THEREOF WILLIAM MARSH RICE UNIVERSITY (US) 2017-06-15 WO disclosed
EP-1991557-B1 MANNOSYL-1 PHOSPHATES, PREPARATION METHOD AND THERAPEUTIC USE, IN PARTICULAR AGAINST THE CDG-IA SYNDROME OE OPERATIONS (FR) 2010-01-20 EP disclosed
US-20090054353-A1 MANNOSYL-1 PHOSPHATES, PREPARATION METHOD AND THERAPEUTIC USE, IN PARTICULAR AGAINST THE CDG-IA SYNDROME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-02-26 US disclosed
EP-1991557-A1 MANNOSYL-1 PHOSPHATES, PREPARATION METHOD AND THERAPEUTIC USE, IN PARTICULAR AGAINST THE CDG-IA SYNDROME OE Operations (FR) 2008-11-19 EP disclosed
WO-2007096532-A1 MANNOSYL-1 PHOSPHATES, PREPARATION METHOD AND THERAPEUTIC USE, IN PARTICULAR AGAINST THE CDG-IA SYNDROME OE OPERATIONS (FR) 2007-08-30 WO disclosed
US-5416068-A Alpha-phenylacrylic acid derivatives, their preparation and their use for controlling pests and harmful fungi BASF AKTIENGESELLSCHAFT (DE) 1995-05-16 US disclosed
US-5298527-A Insecticides BASF AKTIENGESELLSCHAFT (DE) 1994-03-29 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-20090054353-A1 MANNOSYL-1 PHOSPHATES, PREPARATION METHOD AND THERAPEUTIC USE, IN PARTICULAR AGAINST THE CDG-IA SYNDROME MAN2A1, MAN2B1, MANBA KMT2A 4505/4885MAPT 3165/4885MEN1 50/4885

“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.