SCHEMBL5154073

SCHEMBL5154073

COc1cc(C(=O)O)n(C)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.46
SRD5A1 P18405 1/20 0.43
SRD5A2 P31213 1/20 0.43
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA3 P07451 1/20 0.41
PKM P14618 1/20 0.41
CA5A P35218 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
MCL1 Q07820 2/20 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
SCHEMBL12153739 0.73 SRD5A2 (0.71) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL644451 0.72 KMT2A (0.55) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6221773 0.69 HSD17B10 (0.54) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2326863 0.69 CCR2 (0.55) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2905589 0.69 ALDH1A1 (0.60) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3747639 0.69 KDM4E (0.60) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL27938424 0.69 KDM4E (1.00) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21647473 0.68 SRD5A2 (0.57) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL26581211 0.68 HPGD (0.51) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL19332221 0.68 HSD17B10 (0.46) HSD17B10KDM4EALDH1A1HPGDSMN1; 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 5 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
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 WO 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 HSD17B10 588/4885KDM4E 756/4885ALDH1A1 782/4885

“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.