SCHEMBL9906017

SCHEMBL9906017

CC(C)COc1ccc(C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.49
ACACB O00763 3/20 0.49
MEN1 O00255 3/20 0.47
HPGD P15428 3/20 0.47
POLB P06746 2/20 0.47
XBP1 P17861 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.44
GPR88 Q9GZN0 1/20 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
SCHEMBL17281109 0.89 KMT2A (0.43) KMT2AMAPTACACBMEN1HPGD
SCHEMBL123415 0.88 MAPT (0.55) KMT2AMAPTACACBMEN1HPGD
SCHEMBL14579975 0.86 KMT2A (0.50) KMT2AMAPTMEN1POLBKDM4E
SCHEMBL8047267 0.83 ACACB (0.50) KMT2AMAPTACACBMEN1HPGD
SCHEMBL20969625 0.83 MAPT (0.46) KMT2AMAPTACACBMEN1HPGD
SCHEMBL24974017 0.83 MAPT (0.46) KMT2AMAPTACACBMEN1HPGD
SCHEMBL24974023 0.83 MAPT (0.46) KMT2AMAPTACACBMEN1HPGD
SCHEMBL14831640 0.83 MAPT (0.46) KMT2AMAPTACACBMEN1HPGD
SCHEMBL18888181 0.83 ACACB (0.46) KMT2AMAPTACACBMEN1HPGD
SCHEMBL24352243 0.83 LMNA (0.64) KMT2AMAPTMEN1POLBKDM4E

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239828-A1 MANNOSE 6-PHOSPHATE OR ASGPR RECEPTOR BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-07-18 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-20230159592-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2023-05-25 US disclosed
US-11643404-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-05-09 US disclosed
US-11643404-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-05-09 US disclosed
US-11377422-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2022-07-05 US disclosed
WO-2021156636-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY KING'S COLLEGE LONDON (GB) 2021-08-12 WO disclosed
US-8916565-B2 Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-23 US disclosed
US-20140256936-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2014-09-11 US disclosed
US-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-06-26 US disclosed
US-20140105921-A1 Prodrugs of Peptide Epoxy Ketone Protease Inhibitors ONYX THERAPEUTICS, INC. 2014-04-17 US disclosed
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-08-02 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
US-8198318-B2 Therapeutic amides ALLERGEN, INC. (US) 2012-06-12 US disclosed
US-7985767-B2 Glaucoma or ocular hypertension; selective prostaglandin EP2 agonists; carboxy-functional amides or sulfonamide and carboxy bioisosteres thereof; 5-(-3-(N-(4-(1-hydroxyhexyl)phenyl)acetamido)butyl)thiophene-2-carboxylic acid for example ALLERGAN, INC. (US) 2011-07-26 US disclosed
US-20090239858-A1 THERAPEUTIC AMIDES ALLERGAN, INC. (US) 2009-09-24 US disclosed
US-20080119539-A1 THERAPEUTIC AMIDES ALLERGAN, INC. 2008-05-22 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 (13 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-20140105921-A1 Prodrugs of Peptide Epoxy Ketone Protease Inhibitors PREP, VIP, PEPD KMT2A 2378/4885MAPT 3880/4885ACACB 1295/4885
US-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 KMT2A 4328/4885MAPT 2718/4885ACACB 1694/4885
US-20080119539-A1 THERAPEUTIC AMIDES GOT2, GOT1, ARG2 KMT2A 3404/4885MAPT 2061/4885ACACB 64/4885
US-20230159592-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 KMT2A 1913/4885MAPT 4060/4885ACACB 1093/4885
US-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) MAPK1, MAP3K1, MAP3K20 KMT2A 3434/4885MAPT 3850/4885ACACB 2189/4885
US-20090239858-A1 THERAPEUTIC AMIDES ACER2, SLC10A1, ASAH2 KMT2A 2295/4885MAPT 1981/4885ACACB 268/4885
US-11377422-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 KMT2A 2429/4885MAPT 1799/4885ACACB 2850/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 KMT2A 3837/4885MAPT 4883/4885ACACB 4063/4885
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ5, KCNJ1 KMT2A 2577/4885MAPT 2311/4885ACACB 1576/4885
US-20240239828-A1 MANNOSE 6-PHOSPHATE OR ASGPR RECEPTOR BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS M6PR, ASGR1, IGF2R KMT2A 4507/4885MAPT 3700/4885ACACB 3569/4885
US-20140256936-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B KMT2A 1512/4885MAPT 4557/4885ACACB 3548/4885
US-11701370-B2 Phosphonium ion channel blockers and methods for use TRPV1, TRPV5, TRPA1 KMT2A 3568/4885MAPT 1451/4885ACACB 3098/4885
US-11643404-B2 Ester substituted ion channel blockers and methods for use TRPV1, TRPA1, TRPV2 KMT2A 2763/4885MAPT 2258/4885ACACB 1260/4885

“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.