SCHEMBL22167145

SCHEMBL22167145

CC(C)C(=O)CCc1c[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
ALDH1A1 P00352 3/20 0.63
KDM4E B2RXH2 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
GAA P10253 1/20 0.62
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
POLB P06746 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
RECQL P46063 3/20 0.60
APAF1 O14727 1/20 0.60
CYP1A2 P05177 3/20 0.58
CYP2C19 P33261 3/20 0.58
LMNA P02545 1/20 0.58
PKM P14618 1/20 0.58
TSHR P16473 1/20 0.58
BLM P54132 1/20 0.58
CDK4 P11802 1/20 0.58
GLA P06280 1/20 0.58
HPGD P15428 2/20 0.57

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
SCHEMBL692047 0.91 MAPT (0.64) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL9911550 0.84 MAPT (0.64) MAPTALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL29611317 0.84 MAPT (0.66) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL1250315 0.84 MAPT (0.66) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL3651216 0.82 ALDH1A1 (0.72) MAPTALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL14892696 0.82 MAPT (0.62) MAPTALDH1A1KDM4EL3MBTL1GAA
SCHEMBL8241650 0.82 ALDH1A1 (0.85) MAPTALDH1A1KDM4EL3MBTL1GAA
Indolylpropionic Acid SCHEMBL29374161 0.82 MAPT (0.68) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL28378507 0.82 MAPT (0.68) MAPTALDH1A1GAAKMT2AMEN1
Indolylpropionic Acid SCHEMBL195405 0.82 MAPT (0.68) MAPTALDH1A1KDM4EGAAKMT2A

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-20230233689-A1 Bifunctional Small Molecules to Target the Selective Degradation of Circulating Proteins UNIV YALE (US) 2023-07-27 US disclosed
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 US disclosed
WO-2020135569-A1 ETHYLENEDIAMINE COMPOUND AND USE THEREOF 中国人民解放军军事科学院军事医学研究院 2020-07-02 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 (2 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-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 MAPT 3481/4885ALDH1A1 3716/4885KDM4E 2512/4885
US-20230233689-A1 Bifunctional Small Molecules to Target the Selective Degradation of Circulating Proteins ASGR1, LDLR, FCGR2A MAPT 4775/4885ALDH1A1 3256/4885KDM4E 4040/4885

“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.