SCHEMBL6288224

SCHEMBL6288224

O=C1c2ccccc2C(=O)N1CCCc1cnccn1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.57
GAA P10253 2/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1B1 Q16678 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
GLS O94925 1/20 0.46
HTR1A P08908 1/20 0.46

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
SCHEMBL31035955 0.94 TDP1 (0.56) HSD17B10GAAMAPK1KMT2AMEN1
SCHEMBL29263678 0.94 TDP1 (0.56) HSD17B10GAAMAPK1KMT2AMEN1
SCHEMBL4651676 0.83 HSD17B10 (0.82) HSD17B10KMT2AMEN1ALDH1A1PKM
SCHEMBL245402 0.81 MEN1 (0.68) HSD17B10GAAMAPK1KMT2AMEN1
SCHEMBL29263618 0.78 HSD17B10 (0.77) HSD17B10KMT2AMEN1ALDH1A1PKM
SCHEMBL4651550 0.78 KMT2A (0.63) GAAMAPK1KMT2AALDH1A1TDP1
SCHEMBL12733795 0.77 HSD17B10 (0.71) HSD17B10KMT2AMEN1ALDH1A1PKM
SCHEMBL6789096 0.77 TDP1 (0.55) HSD17B10ALDH1A1PKMTDP1L3MBTL1
SCHEMBL7555289 0.75 MEN1 (0.57) HSD17B10KMT2AMEN1TDP1L3MBTL1
SCHEMBL1677739 0.75 TDP1 (0.66) ALDH1A1PKMTDP1L3MBTL1

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-6953785-B2 Estra-1,3,5(10)-triene derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-10-11 US disclosed
US-20030216362-A1 Estra-1,3,5 (10)-triene derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-11-20 US disclosed
EP-1284272-A1 ESTRA-1,3,5(10)-TRIENE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-19 EP 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-20030216362-A1 Estra-1,3,5 (10)-triene derivatives STS, SULT1E1, SULT1A1 HSD17B10 36/4885GAA 1133/4885MAPK1 3245/4885

“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.