SCHEMBL9157286

SCHEMBL9157286

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

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
HPGD P15428 1/20 0.61
SQLE Q14534 7/20 0.54
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 2/20 0.50
UGT1A1 P22309 1/20 0.50
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45

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
SCHEMBL9157291 1.00 KMT2A (0.64) KMT2AHPGDSQLEMAPTALDH1A1
SCHEMBL24092723 0.93 KMT2A (0.77) KMT2AHPGDSQLEMAPTALDH1A1
SCHEMBL18705403 0.93 KMT2A (0.77) KMT2AHPGDSQLEMAPTALDH1A1
SCHEMBL9159032 0.93 KMT2A (0.77) KMT2AHPGDSQLEMAPTALDH1A1
SCHEMBL9159020 0.93 KMT2A (0.77) KMT2AHPGDSQLEMAPTALDH1A1
SCHEMBL11167605 0.88 HPGD (0.55) KMT2AHPGDSQLEMAPTALDH1A1
SCHEMBL23888084 0.88 KMT2A (0.68) KMT2AHPGDSQLEMAPTALDH1A1
SCHEMBL9137864 0.88 KMT2A (0.77) KMT2ASQLEMAPTALDH1A1MEN1
SCHEMBL23888086 0.88 KMT2A (0.68) KMT2AHPGDSQLEMAPTALDH1A1
SCHEMBL14296529 0.88 HPGD (0.55) KMT2AHPGDSQLEMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069417-A1 CAROTENOID OXIDATION PRODUCTS AS CHEMOPREVENTIVE AND CHEMOTHERAPEUTIC AGENTS LY CORED LTD. (IL) 2009-03-12 US disclosed
WO-2007043046-A2 CAROTENOID OXIDATION PRODUCTS AS CHEMOPREVENTIVE AND CHEMOTHERAPEUTIC AGENTS LYCORED LTD. (IL) 2007-04-19 WO disclosed
EP-0448934-B1 Di- and tetra-fluoro analogs of squalene as inhibitors of squalene epoxidase MERRELL DOW PHARMA (US) 1995-02-22 EP disclosed
US-5157166-A Condensing difluoromethyldiphenylphosphine oxide and a polyalkylpolyunsaturated docosanal to difluoromethenylate MERRELL DOW PHARMACEUTICALS INC. (US) 1992-10-20 US disclosed
US-5064864-A ANTICHOLESTEROL AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1991-11-12 US disclosed
EP-0448934-A2 Di- and tetra-fluoro analogs of squalene as inhibitors of squalene epoxidase MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-02 EP disclosed
US-5011859-A Anticholesterol agents MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-30 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-20090069417-A1 CAROTENOID OXIDATION PRODUCTS AS CHEMOPREVENTIVE AND CHEMOTHERAPEUTIC AGENTS DOHH, BBOX1, TXN2 KMT2A 1888/4885HPGD 417/4885SQLE 81/4885

“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.