SCHEMBL1105232

SCHEMBL1105232

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC#N

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
ALOX15 P16050 3/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 2/20 0.57
CYP3A4 P08684 2/20 0.57
ALDH1A1 P00352 1/20 0.57
UGT1A1 P22309 1/20 0.57
SQLE Q14534 7/20 0.55
KDM4E B2RXH2 1/20 0.52
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47

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
SCHEMBL8940810 1.00 KMT2A (0.64) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL4307163 0.98 KMT2A (0.60) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL806716 0.98 KMT2A (0.60) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL28814759 0.86 KMT2A (0.45) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL23458530 0.86 KMT2A (0.52) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL23458529 0.86 KMT2A (0.52) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL10000157 0.83 KMT2A (0.64) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL20510124 0.83 KMT2A (0.64) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL10000172 0.83 KMT2A (0.64) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL10544495 0.83 KMT2A (0.64) KMT2AALOX15MAPTMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059636-A1 PROCESS OF MAKING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-02-22 US disclosed
WO-2022136227-A1 PROCESS OF MAKING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2022-06-30 WO disclosed
US-20210282678-A1 DEVICE AND METHODS FOR DETECTION AND MONITORING OF TUBERCULOSIS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2021-09-16 US disclosed
EP-3000464-B1 COMPOSITION COMPRISING FARNESOL AND USE THEREOF DAEGU GYEONGBUK INST SCIENCE & TECH (KR) 2020-05-06 EP disclosed
US-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-08-28 US disclosed
US-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-08-28 US disclosed
US-8153826-B2 Process for production of (±)-3a,6,6,9a-Tetramethyldecahydronaphtho[2,1-b]Furan-2(1H)-one KAO CORPORATION (JP) 2012-04-10 US disclosed
US-8153826-B2 Process for production of (±)-3a,6,6,9a-Tetramethyldecahydronaphtho[2,1-b]Furan-2(1H)-one KAO CORPORATION (JP) 2012-04-10 US disclosed
WO-2012037069-A2 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-03-22 WO disclosed
US-20090270639-A1 PROCESS FOR PRODUCTION OF (±)-3A,6,6,9A- TETRAMETHYLDECAHYDRONAPHTHO[2,1-B]FURAN-2(1H)-ONE KAO CORPORATION (JP) 2009-10-29 US disclosed
US-20090270639-A1 PROCESS FOR PRODUCTION OF (±)-3A,6,6,9A- TETRAMETHYLDECAHYDRONAPHTHO[2,1-B]FURAN-2(1H)-ONE KAO CORPORATION (JP) 2009-10-29 US disclosed
EP-2048139-A1 PROCESS FOR PRODUCTION OF (±)-3a,6,6,9a TETRAMETHYLDECAHYDRONAPHTHO[2,1-b]FURAN-2(1H)-ONE Kao Corporation (JP) 2009-04-15 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 (3 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-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY WEE1, WEE2, NOTUM KMT2A 3869/4885ALOX15 161/4885MAPT 4714/4885
US-20090270639-A1 PROCESS FOR PRODUCTION OF (±)-3A,6,6,9A- TETRAMETHYLDECAHYDRONAPHTHO[2,1-B]FURAN-2(1H)-ONE COASY, FASN, CYP2C9 KMT2A 3960/4885ALOX15 136/4885MAPT 4477/4885
US-20240059636-A1 PROCESS OF MAKING ORGANIC COMPOUNDS POR, CYC1, CYP11B1 KMT2A 4192/4885ALOX15 144/4885MAPT 4093/4885

“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.