SCHEMBL719924

SCHEMBL719924

COc1cccc(-n2cc(C)c(CO)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.54
TSHR P16473 2/20 0.54
MAPK1 P28482 2/20 0.54
RAB9A P51151 2/20 0.53
NOTUM Q6P988 2/20 0.47
LMNA P02545 1/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADORA1 P30542 3/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA2A P29274 1/20 0.44
BRAF P15056 1/20 0.44
MAPK14 Q16539 1/20 0.44
BCHE P06276 1/20 0.42
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL14019467 0.85 ADORA3 (0.43) HSD17B10TSHRMAPK1RAB9ANOTUM
SCHEMBL717969 0.83 RAB9A (0.61) HSD17B10TSHRMAPK1RAB9ALMNA
SCHEMBL718428 0.82 HSD17B10 (0.60) HSD17B10TSHRMAPK1RAB9ANOTUM
SCHEMBL719883 0.81 HSD17B10 (0.63) HSD17B10TSHRMAPK1RAB9ANOTUM
SCHEMBL14435740 0.81 RAB9A (0.57) HSD17B10TSHRMAPK1RAB9ANOTUM
SCHEMBL719685 0.81 HSD17B10 (0.59) HSD17B10TSHRMAPK1RAB9ANOTUM
SCHEMBL718714 0.76 NPC1 (0.56) HSD17B10RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL718346 0.75 NOTUM (0.46) HSD17B10TSHRMAPK1RAB9ANOTUM
SCHEMBL720888 0.75 HSD17B10 (0.59) HSD17B10TSHRMAPK1RAB9ANOTUM
SCHEMBL14019468 0.74 NOTUM (0.51) RAB9ANOTUMLMNAKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP HSD17B10 691/4885TSHR 1555/4885MAPK1 320/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP HSD17B10 691/4885TSHR 1555/4885MAPK1 320/4885

“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.