SCHEMBL1363093

SCHEMBL1363093

C=CCCC(C(=O)O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.68
LMNA P02545 3/20 0.45
MAPK1 P28482 1/20 0.45
CYP2D6 P10635 1/20 0.42
SRC P12931 1/20 0.42
POLB P06746 1/20 0.41
TBXAS1 P24557 2/20 0.41
EPHX1 P07099 1/20 0.41
CPN1 P15169 1/20 0.40
CPB2 Q96IY4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL28418454 0.89 CYP2C19 (0.58) CYP2C19LMNAMAPK1CYP2D6SRC
SCHEMBL28704099 0.86 CYP2C19 (0.60) CYP2C19LMNAMAPK1CYP2D6SRC
SCHEMBL29005917 0.86 CYP2C19 (0.54) CYP2C19LMNAMAPK1CYP2D6EPHX1
SCHEMBL9268560 0.86 CYP2C19 (0.50) CYP2C19LMNASRCPOLBCPN1
SCHEMBL10975636 0.84 CYP2C19 (0.49) CYP2C19LMNAPOLBCPN1CPB2
SCHEMBL11546369 0.83 CYP2C19 (0.55) CYP2C19LMNAMAPK1CYP2D6SRC
SCHEMBL10885586 0.83 CYP2C19 (0.51) CYP2C19LMNAMAPK1POLBEPHX1
SCHEMBL10444607 0.82 CYP2C19 (0.47) CYP2C19TBXAS1SMN1; SMN2KDM4E
SCHEMBL28857969 0.82 CYP2C19 (0.47) CYP2C19CPN1CPB2KDM4EALDH1A1
SCHEMBL27264696 0.82 CYP2C19 (0.47) CYP2C19LMNAMAPK1CPN1CPB2

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-11604185-B2 Methods for detection of botulinum neurotoxin CITY OF HOPE (US) 2023-03-14 US disclosed
US-20210255174-A1 METHODS FOR DETECTION OF BOTULINUM NEUROTOXIN CITY OF HOPE (US) 2021-08-19 US disclosed
US-10775366-B2 Substrates for detection of botulinum neurotoxin CITY OF HOPE (US) 2020-09-15 US disclosed
EP-3215141-A2 IMMUNOREGULATORY AGENTS Flexus Biosciences, Inc. (US) 2017-09-13 EP disclosed
US-20170153228-A1 METHODS FOR DETECTION OF BOTULINUM NEUROTOXIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-01 US disclosed
WO-2016073738-A2 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2016-05-12 WO disclosed
US-8753831-B2 Methods for detection of botulinum neurotoxin CITY OF HOPE (US) 2014-06-17 US disclosed
US-20130065259-A1 METHODS FOR DETECTION OF BOTULINUM NEUROTOXIN CITY OF HOPE (US) 2013-03-14 US disclosed
US-20120322081-A1 METHODS FOR DETECTION OF BOTULINUM NEUROTOXIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-12-20 US disclosed
US-8067192-B2 Methods for detection of botulinum neurotoxin CITY OF HOPE (US) 2011-11-29 US disclosed
US-20090176259-A1 METHODS FOR DETECTION OF BOTULINUM NEUROTOXIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-09 US disclosed
US-4294905-A DIAZO COMPOUNDS, OLEOPHILIC AND STORAGE STABLE FUJI PHOTO FILM CO., LTD. (JP) 1981-10-13 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 (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-11604185-B2 Methods for detection of botulinum neurotoxin ANTXR2, INHA, PRSS12 CYP2C19 4166/4885LMNA 525/4885MAPK1 4703/4885
US-20210255174-A1 METHODS FOR DETECTION OF BOTULINUM NEUROTOXIN ANTXR2, INHA, PRSS12 CYP2C19 4166/4885LMNA 525/4885MAPK1 4703/4885
US-10775366-B2 Substrates for detection of botulinum neurotoxin ANTXR2, INHA, PRSS12 CYP2C19 4160/4885LMNA 608/4885MAPK1 4627/4885

“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.