SCHEMBL733034

SCHEMBL733034

COc1c[c]cc(OC)c1-c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NOTUM Q6P988 1/20 0.43
MAPK10 P53779 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR2 P34972 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK14 Q16539 1/20 0.41
PDE4D Q08499 1/20 0.40
PDE4B Q07343 1/20 0.40
DHPS P49366 1/20 0.40
IKBKE Q14164 1/20 0.40
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
KDR P35968 1/20 0.39
RORC P51449 1/20 0.39
RORB Q92753 1/20 0.39

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
SCHEMBL730024 0.81 CYP3A4 (0.47) NOTUMPDGFRBCYP1A1CYP1A2CYP1B1
SCHEMBL730859 0.81 CNR2 (0.46) TSHRNPC1SMN1; SMN2MAPK10MEN1
SCHEMBL733133 0.79 PDGFRB (0.47) MAPK10PDE4BPDGFRBCYP1A1CYP1A2
SCHEMBL5321259 0.79 MAPK10 (0.43) TSHRMAPTNPC1SMN1; SMN2NOTUM
SCHEMBL730296 0.78 ERN1 (0.38) TSHRMAPTNPC1MEN1KMT2A
SCHEMBL733057 0.77 CA1 (0.44) TSHRMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7509512 0.76 ALOX5 (0.42) TSHRNPC1SMN1; SMN2NOTUMIKBKE
SCHEMBL28618241 0.76 AKR1C3 (0.48) MAPTSMN1; SMN2PDE4BRORCRORB
SCHEMBL3790825 0.75 CTSA (0.44) TSHRMAPTNPC1SMN1; SMN2NOTUM
SCHEMBL10415602 0.74 TSHR (0.40) TSHRMAPTNPC1SMN1; SMN2NOTUM

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 TSHR 680/4885MAPT 4484/4885NPC1 2438/4885

“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.