SCHEMBL21452019

SCHEMBL21452019

CC(C)(C)OC(=O)NC1(c2ccc(C#N)cc2)CCCC(O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
PGR P06401 1/20 0.35
ABCB1 P08183 6/20 0.34
AR P10275 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
EGLN2 Q96KS0 1/20 0.33
EPHX1 P07099 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
TRPA1 O75762 1/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL21452472 0.88 SIRT2 (0.39) DRD2ABCB1KDM4D
SCHEMBL23490927 0.87 PSEN1 (0.35) DRD2GPR119PSEN1PSEN2APH1B
SCHEMBL21452111 0.86 RORC (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26451027 0.85 KMT2A (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21452014 0.84 CYP11B2 (0.39) DRD2GPR119ABCB1KDM4DEGLN2
SCHEMBL21452181 0.84 RORC (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21452185 0.84 RORC (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21452186 0.84 RORC (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21452005 0.83 CYP2D6 (0.35) ARTRPA1
SCHEMBL21452021 0.82 EGLN2 (0.35) DRD2GPR119PGRAREGLN2

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 DRD2 2133/4885GPR119 821/4885PGR 3651/4885

“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.