SCHEMBL10189225

SCHEMBL10189225

COc1cc(-c2nscc2-c2ccc3c(c2)OCCO3)cc(C)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 2/20 0.39
ERN1 O75460 2/20 0.39
RAB9A P51151 1/20 0.39
CD274 Q9NZQ7 3/20 0.38
KDM4E B2RXH2 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 3/20 0.37
PDCD1 Q15116 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CLK1 P49759 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL618563 0.93 ERN1 (0.42) SMN1; SMN2ALDH1A1NPC1ERN1RAB9A
SCHEMBL10189252 0.89 TGFBR1 (0.35) SMN1; SMN2ALDH1A1NPC1ERN1KDM4E
SCHEMBL617798 0.85 KDM4E (0.45) SMN1; SMN2ALDH1A1NPC1ERN1RAB9A
SCHEMBL615526 0.81 TGFBR1 (0.39) SMN1; SMN2ALDH1A1NPC1ERN1KDM4E
SCHEMBL12339019 0.81 ERN1 (0.40) SMN1; SMN2ALDH1A1NPC1ERN1CD274
SCHEMBL10189223 0.80 TUBB4A (0.51)
SCHEMBL10189238 0.80 TUBB4A (0.51)
SCHEMBL10189189 0.79 FYN (0.44) MEN1KMT2A
SCHEMBL10189186 0.79 TUBB4A (0.37)
SCHEMBL10189199 0.79 HSD17B10 (0.44) LMNA

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-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SUN LIJUN (US) 2013-08-08 US disclosed
US-8399435-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-03-19 US disclosed
US-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-02-16 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 (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-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 SMN1; SMN2 3188/4885ALDH1A1 1872/4885NPC1 650/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 SMN1; SMN2 3188/4885ALDH1A1 1872/4885NPC1 650/4885

“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.