SCHEMBL21452433

SCHEMBL21452433

COc1ccc(C2CCCCC2O)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.47
PDE4B Q07343 5/20 0.47
PDE4A P27815 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TUBB4A P04350 3/20 0.44
TUBB P07437 3/20 0.44
TUBA3C P0DPH7 3/20 0.44
TUBA1B P68363 3/20 0.44
TUBA4A P68366 3/20 0.44
TUBB4B P68371 3/20 0.44
TUBB3 Q13509 3/20 0.44
TUBB2A Q13885 3/20 0.44
TUBB8 Q3ZCM7 3/20 0.44
TUBA3E Q6PEY2 3/20 0.44
TUBA1A Q71U36 3/20 0.44
TUBA1C Q9BQE3 3/20 0.44
TUBB6 Q9BUF5 3/20 0.44
TUBB2B Q9BVA1 3/20 0.44

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
SCHEMBL1380700 0.80 KDM1A (0.51) NR3C1PDE4BPDE4APDE4CPDE4D
SCHEMBL4260439 0.80 KDM1A (0.51) NR3C1PDE4BPDE4APDE4CPDE4D
SCHEMBL1380697 0.80 KDM1A (0.51) NR3C1PDE4BPDE4APDE4CPDE4D
SCHEMBL2826447 0.80 KDM1A (0.51) NR3C1PDE4BPDE4APDE4CPDE4D
SCHEMBL6042100 0.78 PDE4B (0.52) NR3C1PDE4BPDE4APDE4CPDE4D
SCHEMBL17185947 0.78 PDE4A (0.43) NR3C1PDE4BPDE4APDE4CPDE4D
SCHEMBL5972745 0.78 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL16885996 0.77 KDM1A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31549720 0.77 KDM1A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4381314 0.77 KDM1A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JIANHE PHARMACEUTICAL & TECHNOLOGY CO. LTD. (CN) 2021-06-10 US disclosed
EP-3778579-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jianhe Pharmaceutical & Technology Co. Ltd. (CN) 2021-02-17 EP disclosed
WO-2019192602-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海键合医药科技有限公司 2019-10-10 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-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, PAH, COMT NR3C1 1045/4885PDE4B 2153/4885PDE4A 3629/4885

“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.