SCHEMBL7080577

SCHEMBL7080577

CC(C)(C)c1ccc(O)c(-c2cc(O)cc(O)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
HPGD P15428 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 3/20 0.50
GAA P10253 3/20 0.50
MEN1 O00255 2/20 0.50
PKM P14618 2/20 0.50
KMT2A Q03164 2/20 0.50
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.45
TYR P14679 2/20 0.45
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
CYP2D6 P10635 2/20 0.43
SIRT1 Q96EB6 1/20 0.40
NR1I2 O75469 1/20 0.39
CYP2C9 P11712 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
SCHEMBL29785519 0.83 ALDH1A1 (0.70) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL6240718 0.83 ALDH1A1 (0.70) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL3418225 0.81 BACE1 (0.56) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL25387140 0.79 ALDH1A1 (0.44) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL28831154 0.79 ALDH1A1 (0.53) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL28274058 0.79 ALDH1A1 (0.53) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL18763596 0.78 ALDH1A1 (0.52) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL28121289 0.78 ALDH1A1 (0.52) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL30504387 0.78 KMT2A (0.52) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL11073479 0.77 LMNA (0.56) ALDH1A1ALOX15HSD17B10HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030139479-A1 Non-halogenated biphenyl triol compounds, antimicrobial compositions containing the same, and methods of using the same WARNER-LAMBERT COMPANY 2003-07-24 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-20030139479-A1 Non-halogenated biphenyl triol compounds, antimicrobial compositions containing the same, and methods of using the same AS3MT, PTPN1, NONO ALDH1A1 3382/4885ALOX15 1585/4885HSD17B10 1282/4885

“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.