SCHEMBL6869447

SCHEMBL6869447

CC(C)(C)OC(=O)Nc1cccc(NC(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CA1 P00915 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
CYP17A1 P05093 1/20 0.50
BRD4 O60885 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
SYK P43405 1/20 0.48
NAMPT P43490 1/20 0.47
KAT6A Q92794 1/20 0.46
GPR35 Q9HC97 1/20 0.46
KCNK9 Q9NPC2 1/20 0.45

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
SCHEMBL29029431 0.93 HDAC3 (0.56) LMNAMAPTMAPK1HSD17B10HDAC1
SCHEMBL3460916 0.87 KMT2A (0.55) LMNAMAPTMAPK1HSD17B10HDAC1
SCHEMBL29991501 0.87 HSD17B10 (0.59) MAPTMAPK1HSD17B10HDAC1HDAC3
SCHEMBL8966117 0.87 HSD17B10 (0.59) MAPTMAPK1HSD17B10HDAC1HDAC3
SCHEMBL730506 0.87 HDAC3 (0.51) LMNAMAPTMAPK1HSD17B10HDAC1
SCHEMBL7719125 0.86 NAMPT (0.57) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL9479889 0.86 MAPT (0.62) LMNAMAPTMAPK1HSD17B10HDAC1
SCHEMBL775002 0.84 NAMPT (0.56) HSD17B10CA1CA12CYP17A1RXFP1
SCHEMBL23119695 0.84 HDAC3 (0.49) LMNAMAPTMAPK1HSD17B10HDAC1
SCHEMBL20057652 0.84 HDAC3 (0.49) LMNAMAPTMAPK1HDAC1HDAC3

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-6811573-B2 HAIR DYES; INTENSE, STABLE BLUE COLOR SHADES IN ADDITION TO NATURAL, PURPLE OR VIOLET ONES WELLA AKTIENGESELLSCHAFT (DE) 2004-11-02 US disclosed
US-20030093867-A1 Dyes for keratin fibres containing 1,3-diamino-4-heteroarylbenzene derivatives and novel 1,3-diamino-4-heteroarylbenzene derivatives HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-05-22 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-20030093867-A1 Dyes for keratin fibres containing 1,3-diamino-4-heteroarylbenzene derivatives and novel 1,3-diamino-4-heteroarylbenzene derivatives KRT18, DSP, TUBB4B LMNA 1500/4885MAPT 656/4885MAPK1 410/4885

“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.