SCHEMBL2433757

SCHEMBL2433757

COCCCCC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.57
SLC6A4 P31645 2/20 0.56
TSHR P16473 1/20 0.49
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
KMO O15229 2/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
CCKAR P32238 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL11644999 0.98 HPGD (0.56) HPGDSLC6A4TSHRTHRATHRB
SCHEMBL11647485 0.91 HPGD (0.52) HPGDSLC6A4TSHRTHRATHRB
SCHEMBL3952392 0.89 HPGD (0.62) HPGDSLC6A4TSHRKMOHDAC3
SCHEMBL11645512 0.87 HPGD (0.54) HPGDSLC6A4TSHRTHRATHRB
SCHEMBL6810549 0.84 L3MBTL1 (0.57) HPGDTSHRKMOHDAC3HDAC4
Ethylene SCHEMBL11647884 0.84 HPGD (0.51) HPGDSLC6A4TSHRTHRATHRB
SCHEMBL11647831 0.83 HPGD (0.56) HPGDSLC6A4TSHRKMOHDAC3
SCHEMBL11438605 0.82 ALDH1A1 (0.68) HPGDSLC6A4TSHRTHRATHRB
SCHEMBL1448283 0.82 HSD17B3 (0.59) TSHRTHRATHRBKMOHDAC3
SCHEMBL10706454 0.82 SLC6A4 (0.54) HPGDSLC6A4HDAC1HDAC8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 US disclosed
US-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 US disclosed
US-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 US disclosed
WO-2010011302-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-01-28 WO disclosed
WO-2010011302-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-01-28 WO disclosed
US-4081552-A OXIME ETHERS HAVING ANTI-DEPRESSIVE ACTIVITY U.S. PHILIPS CORPORATION (US) 1978-03-28 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 (1 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-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA HPGD 40/4885SLC6A4 670/4885TSHR 4092/4885

“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.