SCHEMBL296282

SCHEMBL296282

CC(C)=CCCC(C)=CCCC(C)=CCc1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
VKORC1 Q9BQB6 1/20 0.47
MAPT P10636 3/20 0.47
PGR P06401 1/20 0.47
HTR1A P08908 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PTGS1 P23219 1/20 0.47
PDE4A P27815 1/20 0.47
MAPK1 P28482 1/20 0.47
DRD3 P35462 1/20 0.47
SNCA P37840 1/20 0.47
PDE3A Q14432 1/20 0.47
PTPN1 P18031 1/20 0.47
BACE1 P56817 1/20 0.47
MEN1 O00255 2/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 2/20 0.44
ALDH1A1 P00352 1/20 0.44
UGT1A1 P22309 1/20 0.44
PPARG P37231 2/20 0.44

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
SCHEMBL11858039 0.88 KMT2A (0.48) KMT2AVKORC1MAPTMEN1CYP3A4
SCHEMBL11858048 0.88 KMT2A (0.48) KMT2AVKORC1MAPTMEN1CYP3A4
SCHEMBL14767618 0.88 KMT2A (0.48) KMT2AVKORC1MAPTMEN1CYP3A4
SCHEMBL14768425 0.88 KMT2A (0.48) KMT2AVKORC1MAPTMEN1CYP3A4
SCHEMBL4322455 0.83 TAAR1 (0.42) KMT2AMAPTPTGS1MEN1ALDH1A1
SCHEMBL1414806 0.82 DPP4 (0.48) KMT2AVKORC1MAPTPGRHTR1A
Farnesol SCHEMBL2206101 0.74 KMT2A (0.56) KMT2AMAPTPGRHTR1AADORA3
Geranylgeraniol SCHEMBL2291437 0.74 KMT2A (0.56) KMT2AMAPTPGRHTR1AADORA3
SCHEMBL17867387 0.73 KMT2A (0.55) KMT2AVKORC1MAPTPGRHTR1A
SCHEMBL29939776 0.73 TAAR1 (0.50) MAPTPTGS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326212-A1 Chemical Modification of Proteins R.P. SCHERER TECHNOLOGIES, LLC 2016-11-10 US disclosed
US-9346851-B2 Chemical modification of proteins R.P. SCHERER TECHNOLOGIES, LLC (US) 2016-05-24 US disclosed
CN-101405401-B Genetic programming expression of protein containing unnatural amino acid phenylselenocysteine SCRIPPS RESEARCH INST 2013-03-27 CN disclosed
EP-2254900-B1 CHEMICAL MODIFICATION OF PROTEINS ISIS INNOVATION (GB) 2012-03-14 EP disclosed
US-20110144304-A1 Chemical Modification of Proteins REDWOOD BIOSCIENCE, INC. 2011-06-16 US disclosed
EP-2254900-A1 CHEMICAL MODIFICATION OF PROTEINS ISIS Innovation Limited (GB) 2010-12-01 EP disclosed
US-20100222546-A1 METHODS FOR THE PREPARATION OF FUNCTIONALIZED PEPTIDES, PROTEINS AND CARBOHYDRATES AND THEIR CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-09-02 US disclosed
WO-2009103941-A1 CHEMICAL MODIFICATION OF PROTEINS ISIS INNOVATION LIMITED (GB) 2009-08-27 WO disclosed
CN-101405401-A Genetic programming expression of protein containing unnatural amino acid phenylselenocysteine SCRIPPS RESEARCH INST (US) 2009-04-08 CN disclosed
WO-2008066816-A2 DERIVATIZATION OR LIGATON OF PEPTIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-06-05 WO 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-20110144304-A1 Chemical Modification of Proteins SCLY, PTMS, QPCT KMT2A 2362/4885VKORC1 2204/4885MAPT 3827/4885
US-20160326212-A1 Chemical Modification of Proteins SCLY, PTMS, QPCT KMT2A 2362/4885VKORC1 2204/4885MAPT 3827/4885
US-20100222546-A1 METHODS FOR THE PREPARATION OF FUNCTIONALIZED PEPTIDES, PROTEINS AND CARBOHYDRATES AND THEIR CONJUGATES PTMS, STT3A, GCG KMT2A 3803/4885VKORC1 3406/4885MAPT 1864/4885

“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.