SCHEMBL22799765

SCHEMBL22799765

C=CCCCCCc1ccccc1C(=O)N[C@@H](CC=C)C(=O)N(C)OC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SLC16A3 O15427 4/20 0.33
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ UTS2R Q9UKP6 1/20 0.31

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
SCHEMBL22800062 0.85 DAGLA (0.36) JAK3BTKALDH1A1LMNA
SCHEMBL22800150 0.84 KDM4E (0.42) MAPTJAK3BTKALDH1A1LMNA
SCHEMBL22800170 0.83 KDM4E (0.43) ALDH1A1LMNATHRB
SCHEMBL22800230 0.82 CYP4F2 (0.39) MAPTALDH1A1LMNASLC16A3THRA
SCHEMBL22800227 0.82 CYP4F2 (0.39) MAPTALDH1A1LMNASLC16A3THRA
SCHEMBL22799768 0.82 CYP4F2 (0.39) MAPTALDH1A1LMNASLC16A3THRA
SCHEMBL22800074 0.79 ICMT (0.35) MAPTJAK3BTKLMNATDP1
SCHEMBL22800154 0.77 ALDH1A1 (0.46) MAPTALDH1A1LMNATHRB
SCHEMBL22799638 0.75 KDM4E (0.38) ALDH1A1LMNATHRBTDP1PTPN1
SCHEMBL20028240 0.72 DCAF1 (0.46) MAPTALDH1A1

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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Knobbe, Martens, Olson & Bear, LLP 2020-12-17 — — 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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN2, CAPN1 MAPT 472/4885JAK3 4749/4885BTK 4016/4885

“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.

Send feedback