SCHEMBL2633503

SCHEMBL2633503

CCC(C)c1ccc2c(c1)CCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 6/20 0.42
WNT3A P56704 6/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
OGA O60502 1/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
TRIM24 O15164 1/20 0.39
BRD1 O95696 1/20 0.39
BRPF1 P55201 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
SCHEMBL22482269 1.00 CTNNB1 (0.42) CTNNB1WNT3AHDAC3HDAC4HDAC1
SCHEMBL13814476 0.90 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18713950 0.86 CTNNB1 (0.43) CTNNB1WNT3AHDAC3HDAC4HDAC1
SCHEMBL2629597 0.83 HDAC3 (0.45) CTNNB1WNT3AHDAC3HDAC4HDAC1
SCHEMBL8209755 0.82 PTGS1 (0.49) USP2ALDH1A1GAAPKMHPGD
SCHEMBL23123676 0.81 HDAC3 (0.43) CTNNB1WNT3AHDAC3HDAC4HDAC1
SCHEMBL29757900 0.81 HDAC3 (0.43) CTNNB1WNT3AHDAC3HDAC4HDAC1
SCHEMBL13369290 0.80 PTGS1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14177758 0.80 HDAC4 (0.39) HDAC4HDAC2HDAC8CLK1DYRK1A
SCHEMBL12997915 0.79 HDAC3 (0.44) CTNNB1WNT3AHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-20230278987-A1 Antimicrobial Compounds and Methods CURZA GLOBAL, LLC. 2023-09-07 US disclosed
US-11345713-B2 Compounds as modulators of TLR2 signaling NEUROPORE THERAPIES, INC. (US) 2022-05-31 US disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
US-20210024539-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING NEUROPORE THERAPIES, INC. (US) 2021-01-28 US disclosed
US-20200308163-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 US disclosed
US-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 US disclosed
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 WO disclosed
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2017-04-06 US disclosed
US-8163787-B2 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-24 US disclosed
US-20110112109-A1 TRIAZOLONE DERIVATIVES CLARK RICHARD 2011-05-12 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 (8 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-20230278987-A1 Antimicrobial Compounds and Methods CLPP, RPN2, MPO CTNNB1 4110/4885WNT3A 4502/4885HDAC3 1438/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CTNNB1 619/4885WNT3A 919/4885HDAC3 826/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CTNNB1 619/4885WNT3A 919/4885HDAC3 826/4885
US-20110112109-A1 TRIAZOLONE DERIVATIVES H1-10, H1-0, H1-2 CTNNB1 174/4885WNT3A 211/4885HDAC3 63/4885
US-20200308163-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING TLR3, TLR6, TLR4 CTNNB1 4419/4885WNT3A 4341/4885HDAC3 536/4885
US-11345713-B2 Compounds as modulators of TLR2 signaling TLR2, TLR4, TLR3 CTNNB1 4304/4885WNT3A 4116/4885HDAC3 1146/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CTNNB1 619/4885WNT3A 919/4885HDAC3 826/4885
US-20210024539-A1 COMPOUNDS AS MODULATORS OF TLR2 SIGNALING TLR2, TLR4, TLR3 CTNNB1 4304/4885WNT3A 4116/4885HDAC3 1146/4885

“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.