SCHEMBL438467

SCHEMBL438467

CC(C)=CCCC(C)=CCCC(C)=CCCC(O)=S

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
MAPT P10636 2/20 0.61
MEN1 O00255 2/20 0.61
CYP3A4 P08684 2/20 0.61
ALOX15 P16050 2/20 0.61
ALDH1A1 P00352 1/20 0.61
UGT1A1 P22309 1/20 0.61
SQLE Q14534 7/20 0.59
KDM4E B2RXH2 2/20 0.55
FNTA P49354 2/20 0.55
FNTB P49356 2/20 0.55
ATM Q13315 1/20 0.52

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
SCHEMBL5362041 1.00 KMT2A (0.70) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL122098 0.91
SCHEMBL9576827 0.90 KMT2A (0.61) KMT2AMAPTMEN1CYP3A4ALOX15
Squalene SCHEMBL2515732 0.85 KMT2A (0.94) KMT2AMAPTMEN1CYP3A4ALOX15
Squalene SCHEMBL2515736 0.85 KMT2A (0.94) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL23802597 0.83 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ALOX15
Squalene SCHEMBL8819997 0.83 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL39067 0.83 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL21639794 0.83 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ALOX15
Squalene SCHEMBL21823197 0.83 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 131 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190038573-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE CLIFF-CARTWRIGHT CORPORATION 2019-02-07 US claimed
EP-3295794-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND RELIEVING MUSCLE CRAMPS AND FOR RECOVERY FROM NEUROMUSCULAR IRRITABILITY AND FATIGUE FOLLOWING EXERCISE Flex Pharma, Inc. (US) 2018-03-21 EP claimed
US-20170333483-A1 METHODS FOR ENHANCING HEMATOPOIETIC STEM/PROGENITOR CELL ENGRAFTMENT CHILDREN'S MEDICAL CENTER CORPORATION 2017-11-23 US claimed
EP-2629610-B1 METHODS AND COMPOSITIONS FOR PREVENTING AND RELIEVING MUSCLE CRAMPS AND FOR RECOVERY FROM NEUROMUSCULAR IRRITABILITY AND FATIGUE FOLLOWING EXERCISE FLEX PHARMA INC (US) 2017-09-06 EP claimed
US-9737567-B2 Methods for enhancing hematopoietic stem/progenitor cell engraftment CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-08-22 US claimed
EP-3131541-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE Flex Pharma, Inc. (US) 2017-02-22 EP claimed
US-20170042834-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE CLIFF-CARTWRIGHT CORPORATION 2017-02-16 US claimed
CN-106232110-A Ion channel activation agent and using method 弗莱克斯制药股份有限公司 2016-12-14 CN claimed
WO-2015160843-A1 ION CHANNEL ACTIVATORS AND METHODS OF USE FLEX PHARMA, INC. (US) 2015-10-22 WO claimed
US-20150272996-A1 METHODS FOR ENHANCING HEMATOPOIETIC STEM/PROGENITOR CELL ENGRAFTMENT CHILDREN'S MEDICAL CENTER CORPORATION 2015-10-01 US claimed
US-9051548-B2 Methods for enhancing hematopoietic stem/progenitor cell engraftment CHILDREN'S MEDICAL CENTER CORPORATION (US) 2015-06-09 US claimed
EP-2629610-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND RELIEVING MUSCLE CRAMPS AND FOR RECOVERY FROM NEUROMUSCULAR IRRITABILITY AND FATIGUE FOLLOWING EXERCISE Bean, Bruce P. (US) 2013-08-28 EP claimed
US-20130203715-A1 USE OF TRP CHANNEL AGONISTS TO TREAT INFECTIONS PULMATRIX, INC. (US) 2013-08-08 US claimed
WO-2012012498-A9 USE OF TRP CHANNEL AGONISTS TO TREAT INFECTIONS PULMATRIX, INC. (US) 2012-04-05 WO claimed
WO-2012015882-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND RELIEVING MUSCLE CRAMPS AND FOR RECOVERY FROM NEUROMUSCULAR IRRITABILITY AND FATIGUE FOLLOWING EXERCISE BEAN BRUCE P (US) 2012-02-02 WO claimed
US-20120027693-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND RELIEVING MUSCLE CRAMPS AND FOR RECOVERY FROM NEUROMUSCULAR IRRITABILITY AND FATIGUE FOLLOWING EXERCISE CLIFF-CARTWRIGHT CORPORATION 2012-02-02 US claimed
WO-2012012498-A2 USE OF TRP CHANNEL AGONISTS TO TREAT INFECTIONS PULMATRIX, INC. (US) 2012-01-26 WO claimed
WO-2010091052-A2 METHODS FOR ENHANCING HEMATOPOIETIC STEM/PROGENITOR CELL ENGRAFTMENT CHILDREN'S MEDICAL CENTER CORPORATION (US) 2010-08-12 WO claimed
US-6372793-B1 NERVOUS SYSTEM DISORDERS, METHYLATION DEMETHYLATION FOR NEUROMODULATOR FUNCTIONS FLORIDA AGRICULTURAL & MECHANICAL UNIVERSITY 2002-04-16 US claimed
US-5202456-A Anticarcinogenic agents; methylating transferase inhibitors; farnesyl or geranyl sulfur-, oxygen or selenium-containing derivatives THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1993-04-13 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20130203715-A1 USE OF TRP CHANNEL AGONISTS TO TREAT INFECTIONS TRPV1, TRPC4, TRPC3 KMT2A 4160/4885MAPT 3407/4885MEN1 2763/4885
US-20120027693-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND RELIEVING MUSCLE CRAMPS AND FOR RECOVERY FROM NEUROMUSCULAR IRRITABILITY AND FATIGUE FOLLOWING EXERCISE TRPA1, TRPV1, TRPV5 KMT2A 3814/4885MAPT 3485/4885MEN1 2701/4885
US-20150272996-A1 METHODS FOR ENHANCING HEMATOPOIETIC STEM/PROGENITOR CELL ENGRAFTMENT HCLS1, HGF, MCL1 KMT2A 1244/4885MAPT 4785/4885MEN1 3334/4885
US-20170333483-A1 METHODS FOR ENHANCING HEMATOPOIETIC STEM/PROGENITOR CELL ENGRAFTMENT HCLS1, HGF, MCL1 KMT2A 1244/4885MAPT 4785/4885MEN1 3334/4885

“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.