SCHEMBL10034412

SCHEMBL10034412

CCCC(=O)c1ccc(O)c(-c2cc(C(=O)CCC)ccc2O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.60
HPGD P15428 5/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
STS P08842 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
RAB9A P51151 3/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
IAPP P10997 1/20 0.42

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
SCHEMBL10001729 0.93 HSD17B3 (0.53) HSD17B3HPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5681582 0.86 HSD17B3 (0.62) HSD17B3HPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6812061 0.83 HSD17B3 (0.58) HSD17B3HPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2427006 0.81 HSD17B3 (0.56) HSD17B3HPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2239062 0.81 HSP90AA1 (0.58) HSD17B3HPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL15394620 0.80 PKM (0.64) HSD17B3HPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5326647 0.80 HSD17B3 (0.55) HSD17B3HPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL30266750 0.79 SLC22A6 (0.64) HSD17B3RAB9AMEN1KMT2A
SCHEMBL3811067 0.79 SLC22A6 (0.64) HSD17B3RAB9AMEN1KMT2A
SCHEMBL26254861 0.79 HSD17B3 (0.82) HSD17B3HPGDSMN1; SMN2L3MBTL1ALDH1A1

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-8652444-B2 Oral compositions containing biphenol antibacterial compounds COLGATE-PALMOLIVE COMPANY (US) 2014-02-18 US disclosed
US-20120052026-A1 ORAL COMPOSITIONS CONTAINING BIPHENOL ANTIBACTERIAL COMPOUNDS COLGATE-PALMOLIVE COMPANY (US) 2012-03-01 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-20120052026-A1 ORAL COMPOSITIONS CONTAINING BIPHENOL ANTIBACTERIAL COMPOUNDS BPGM, ABCB11, UGT1A10 HSD17B3 2732/4885HPGD 233/4885SMN1; SMN2 3966/4885

“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.