SCHEMBL9304569

SCHEMBL9304569

CC(C)=CCCC(C)=CCCC(C)=CCCI

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 1/20 0.64
UGT1A1 P22309 1/20 0.64
SQLE Q14534 7/20 0.61
KDM4E B2RXH2 1/20 0.57
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
ICMT O60725 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
SCHEMBL4572068 1.00 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL9304561 1.00 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL16671458 1.00 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8621737 0.86 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8623413 0.86 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL9128197 0.86 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8621731 0.86 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8623417 0.86 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL21631695 0.86 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL21631709 0.86 KMT2A (0.73) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060542-B1 PREPARATION OF HOMOALLYLIC COMPOUNDS BY REACTION OF CYCLOPROPYLVINYL PRECURSORS WITH BRONSTEDT ACIDS GIVAUDAN SA (CH) 2018-02-21 EP disclosed
US-9884803-B2 Preparation of homoallylic compounds by reaction of cyclopropylvinyl precursors with bronstedt acids GIVAUDAN SA (CH) 2018-02-06 US disclosed
US-20160251298-A1 PREPARATION OF HOMOALLYLIC COMPOUNDS BY REACTION OF CYCLOPROPYLVINYL PRECURSORS WITH BRONSTEDT ACIDS EUAGORE, LLC 2016-09-01 US disclosed
EP-3060542-A1 PREPARATION OF HOMOALLYLIC COMPOUNDS BY REACTION OF CYCLOPROPYLVINYL PRECURSORS WITH BRONSTEDT ACIDS Givaudan SA (CH) 2016-08-31 EP disclosed
WO-2015059293-A1 PREPARATION OF HOMOALLYLIC COMPOUNDS BY REACTION OF CYCLOPROPYLVINYL PRECURSORS WITH BRONSTEDT ACIDS GIVAUDAN SA (CH) 2015-04-30 WO disclosed
US-5362906-A Antitumor MERCK & CO., INC. (US) 1994-11-08 US disclosed
EP-0601573-A1 Alpha-phosphonocarboxylate squalene synthetase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 EP disclosed
US-5312814-A Antilipemic agents or anticholesterol agents BRISTOL-MYERS SQUIBB CO. (US) 1994-05-17 US disclosed
US-5298655-A Enzyme inhibitors or anticarcinogenic agents MERCK & CO., INC. (US) 1994-03-29 US disclosed
EP-0534546-A1 Farnesyl pyrophosphate analogs MERCK & CO. INC. (US) 1993-03-31 EP disclosed
US-5166386-A Inhibit cholesterol biosynthesis E. R. SQUIBB & SONS, INC. (US) 1992-11-24 US disclosed
EP-0513761-A2 Bisphosphonate squalene synthetase inhibitors E.R. SQUIBB & SONS, INC. (US) 1992-11-19 EP disclosed
US-5157027-A Anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1992-10-20 US disclosed
US-5107011-A Intermediates for anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1992-04-21 US disclosed
US-5025003-A Anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1991-06-18 US disclosed
EP-0418814-A2 Isoprenoid phosphinylformic acid squalene synthetase inhibitors and method for preparing the same E.R. SQUIBB & SONS, INC. (US) 1991-03-27 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 (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-20160251298-A1 PREPARATION OF HOMOALLYLIC COMPOUNDS BY REACTION OF CYCLOPROPYLVINYL PRECURSORS WITH BRONSTEDT ACIDS HPD, DHPS, SQLE KMT2A 1439/4885MAPT 3338/4885MEN1 1122/4885

“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.