SCHEMBL733076

SCHEMBL733076

COc1c[c]cc(OC)c1-c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 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
SCHEMBL730765 0.83 CA12 (0.46) ACHENPC1RAB9AKDM4EMAPT
SCHEMBL28451770 0.82 PDE4A (0.41) PDGFRBPDGFRAALDH1A1HPGDKMT2A
SCHEMBL730296 0.82 ERN1 (0.38) CNR2ALDH1A1KMT2ANPC1RAB9A
SCHEMBL733057 0.81 CA1 (0.44) CNR2ALDH1A1HPGDKMT2AKDM4E
SCHEMBL3021896 0.79 ERN1 (0.41) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL1045908 0.78 TNKS (0.46) ACHEPDGFRBPDGFRAALDH1A1CYP3A4
SCHEMBL8801058 0.78 PDE4A (0.50) ACHEPDGFRBPDGFRAALDH1A1HPGD
SCHEMBL730859 0.77 CNR2 (0.46) ACHECNR2ALDH1A1HPGDKMT2A
SCHEMBL1047654 0.75 ACHE (0.50) ACHEPDGFRBPDGFRACNR2ALDH1A1
SCHEMBL8089506 0.75 ALDH1A1 (0.36) ACHEPDGFRBPDGFRAALDH1A1CYP3A4

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 ACHE 2919/4885PDGFRB 3095/4885PDGFRA 2565/4885

“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.