SCHEMBL5239054

SCHEMBL5239054

O=C1CCCCc2c1[nH]c1ccccc21

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.93
MEN1 O00255 2/20 0.93
KMT2A Q03164 2/20 0.93
KDM4E B2RXH2 11/20 0.59
ALDH1A1 P00352 8/20 0.59
LMNA P02545 7/20 0.59
HPGD P15428 5/20 0.59
MAPT P10636 4/20 0.59
GAA P10253 1/20 0.59
MAPK1 P28482 1/20 0.59
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 3/20 0.51
ALOX15 P16050 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
CASP7 P55210 1/20 0.51

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
SCHEMBL29666273 0.96 HSD17B10 (1.00) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL4021839 0.96 HSD17B10 (1.00) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL5918264 0.89 HSD17B10 (0.79) HSD17B10MEN1KMT2AKDM4EALDH1A1
Alcohol SCHEMBL28970833 0.87 HSD17B10 (0.82) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL30158836 0.79 HSD17B10 (0.61) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL4156981 0.78 LMNA (0.94) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL31721140 0.78 HSD17B10 (0.68) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL6882020 0.77 KDM4E (0.81) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL4668622 0.76 MEN1 (0.66) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL30273084 0.76 MEN1 (0.66) HSD17B10MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016109706-A1 FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-07-07 WO disclosed
WO-2016109706-A1 FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-07-07 WO disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
EP-1761539-A1 INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER Takeda Pharmaceutical Company Limited (JP) 2007-03-14 EP disclosed
WO-2005118587-A1 INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 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-20070254877-A1 Indole Derivative and Use for Treatment of Cancer IGF1R, KDR, ERBB2 HSD17B10 2043/4885MEN1 2894/4885KMT2A 635/4885

“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.