SCHEMBL5498036

SCHEMBL5498036

COc1cc(C(=O)O)n(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP2C9 P11712 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.38
RXRA P19793 1/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NQO2 P16083 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CCR2 P41597 1/20 0.35

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
SCHEMBL20515068 0.86 TDP1 (0.44) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL17477685 0.73 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2783116 0.72 CYP2C9 (0.54) KDM4EHSD17B10TDP1CA1CA2
SCHEMBL3674837 0.72 TDP1 (0.46) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL5174989 0.72 TDP1 (0.46) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL14879024 0.72 TDP1 (0.42) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1666475 0.72 TDP1 (0.40) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1529508 0.71 TDP1 (0.45) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL781811 0.71 TDP1 (0.45) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL370476 0.71 TDP1 (0.45) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 KDM4E 756/4885ALDH1A1 782/4885HPGD 190/4885

“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.