SCHEMBL22878027

SCHEMBL22878027

CC(C)(C)CC(O)c1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.46
▸ CES2 O00748 2/20 0.44
▸ CES1 P23141 2/20 0.44
▸ CYP3A4 P08684 2/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ CA3 P07451 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ MC4R P32245 1/20 0.35
▸ ADRA2A P08913 2/20 0.34
▸ ADRA2B P18089 2/20 0.34
▸ ADRA2C P18825 2/20 0.34

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
SCHEMBL17927648 0.83 PDE2A (0.44) PDE2ACYP3A4ADRA2AADRA2BADRA2C
SCHEMBL20993296 0.79 PDE2A (0.39) PDE2ACES2CES1CYP3A4SLC6A2
SCHEMBL13270913 0.78 ADRB2 (0.54) PDE2ACYP3A4SLC6A2CYP2D6SLC6A4
SCHEMBL15119935 0.78 CYP3A4 (0.41) PDE2ACES2CES1CYP3A4SLC6A2
SCHEMBL7145782 0.77 ADRA2C (0.57) PDE2ACES2CES1CYP3A4SLC6A2
SCHEMBL5225559 0.77 ADRA2C (0.57) PDE2ACES2CES1CYP3A4SLC6A2
SCHEMBL12303658 0.77 CES2 (0.49) PDE2ACES2CES1CYP3A4SLC6A2
SCHEMBL14539581 0.76 CES2 (0.47) PDE2ACES2CES1CYP3A4SLC6A2
Hydrochloric Acid SCHEMBL5354434 0.76 KDM4E (0.58) PDE2ACES2CES1CYP3A4SLC6A2
SCHEMBL10306200 0.76 CES2 (0.47) PDE2ACES2CES1CYP3A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210008045-A1 PANICINOTAM DERIVATIVE, PREPARATION METHOD AND USE THEREOF OCEAN UNIVERSITY OF CHINA (CN) 2021-01-14 — — US 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-20210008045-A1 PANICINOTAM DERIVATIVE, PREPARATION METHOD AND USE THEREOF TPMT, PBRM1, PGM2 PDE2A 1719/4885CES2 1777/4885CES1 1463/4885

“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.

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