SCHEMBL16670512

SCHEMBL16670512

COc1ccc(CCC=O)c(-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.45
HDAC8 Q9BY41 2/20 0.44
PTPN1 P18031 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
PIN1 Q13526 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41

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
SCHEMBL5551523 0.81 BACE1 (0.51) BACE1HDAC8PTPN1TAS1R3TAS1R1
SCHEMBL28034772 0.78 MEN1 (0.42) ALDH1A1KMT2AMEN1POLB
SCHEMBL27773458 0.77 POLB (0.50) BACE1HDAC8PTPN1TAS1R3TAS1R1
SCHEMBL13952366 0.77 PTGDR2 (0.43) BACE1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7062417 0.77 BACE1 (0.48) BACE1HDAC8PTPN1TAS1R3TAS1R1
SCHEMBL584252 0.76 APLNR (0.59) ALDH1A1KMT2AMEN1MAPT
SCHEMBL3312341 0.76 KMT2A (0.45) ALDH1A1HPGDHTTKMT2AMEN1
SCHEMBL31708810 0.76 PTPN1 (0.46) BACE1HDAC8PTPN1TAS1R3TAS1R1
SCHEMBL4234360 0.76 DPP4 (0.50) HDAC3HDAC1KMT2A
SCHEMBL910548 0.75 POLB (0.62) ALDH1A1HPGDNPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139543-B2 Thiazole compounds and uses thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2015-09-22 US disclosed
US-20150119430-A1 Thiazole Compounds and Uses Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2015-04-30 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-20150119430-A1 Thiazole Compounds and Uses Thereof BAX, TNNT2, TNNI3 BACE1 1899/4885HDAC8 770/4885PTPN1 792/4885

“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.