SCHEMBL22800154

SCHEMBL22800154

C=CC[C@H](NC(=O)c1ccccc1OCCCC)C(=O)N(C)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ THRB P10828 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ CNR2 P34972 2/20 0.42
▸ FAAH O00519 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GALR1 P47211 1/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LIG1 P18858 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL22800170 0.92 KDM4E (0.43) ALDH1A1THRBNPSR1TSHRTP53
SCHEMBL22800150 0.91 KDM4E (0.42) ALDH1A1THRBNPSR1CNR2FAAH
SCHEMBL22799633 0.88 LIG1 (0.44) ALDH1A1THRBNPSR1KDM4EMEN1
SCHEMBL22799838 0.78 ALDH1A1 (0.51) ALDH1A1THRBNPSR1TSHRTP53
SCHEMBL22799638 0.78 KDM4E (0.38) ALDH1A1THRBNPSR1CNR2FAAH
SCHEMBL22799715 0.77 ALDH1A1 (0.48) ALDH1A1THRBNPSR1TSHRTP53
SCHEMBL22799765 0.77 MAPT (0.35) ALDH1A1THRBMAPTLMNA
SCHEMBL22800074 0.76 ICMT (0.35) KDM4EMEN1KMT2AMAPTLIG1
SCHEMBL22800181 0.74 KDM4E (0.37) ALDH1A1KDM4ELMNAHDAC6
SCHEMBL12418029 0.73 LMNA (0.55) ALDH1A1THRBNPSR1TSHRTP53

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 ALDH1A1 3918/4885THRB 2737/4885NPSR1 3724/4885

“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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