SCHEMBL732633

SCHEMBL732633

CCOc1c[c]cc(OC)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 5/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.37
MAPT P10636 7/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HPGD P15428 3/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL731429 0.93 ALDH1A1 (0.42) ALDH1A1GLAL3MBTL1MAPTKDM4E
SCHEMBL733057 0.88 CA1 (0.44) KMT2AMEN1ALDH1A1TSHRMAPT
SCHEMBL28451770 0.84 PDE4A (0.41) KMT2AMEN1ALDH1A1L3MBTL1TSHR
SCHEMBL730845 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EGAAPDE4APDE4B
SCHEMBL730813 0.81 PDE4A (0.36) KMT2AKDM4EPDE4APDE4BPDE4C
SCHEMBL16720145 0.76 PDE4B (0.46) ALDH1A1TSHRMAPTKDM4EPDE4A
SCHEMBL28236852 0.75 PDE4A (0.44) KMT2AMEN1ALDH1A1TSHRMAPT
SCHEMBL20746608 0.74 KDM4E (0.39) ALDH1A1TSHRMAPTKDM4EGAA
SCHEMBL733076 0.74 ACHE (0.40) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL1501712 0.74 RXRA (0.49) KMT2AMEN1L3MBTL1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 KMT2A 3686/4885MEN1 2567/4885ALDH1A1 113/4885

“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.