SCHEMBL20989279

SCHEMBL20989279

CCOc1ccccc1OCC(=O)N1CCC(C(=O)NCc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
NPSR1 Q6W5P4 2/20 0.60
HSD17B10 Q99714 1/20 0.57
ALDH1A1 P00352 3/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 1/20 0.54
HTR1A P08908 1/20 0.54
HTR1B P28222 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
GAA P10253 1/20 0.52
USP2 O75604 1/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
RECQL P46063 1/20 0.50
GLA P06280 1/20 0.50

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
SCHEMBL20989196 0.83 ALDH1A1 (0.61) POLBNPSR1ALDH1A1TSHRKMT2A
SCHEMBL20989200 0.82 ALDH1A1 (0.59) POLBNPSR1ALDH1A1TSHRKMT2A
SCHEMBL20989309 0.80 GPR183 (0.65) POLBNPSR1HSD17B10ALDH1A1TSHR
SCHEMBL20989103 0.80 GPR183 (0.64) POLBNPSR1ALDH1A1TSHRKMT2A
SCHEMBL22462992 0.77 NPSR1 (0.81) NPSR1ALDH1A1TSHRKMT2AHTR1A
SCHEMBL12804554 0.75 NPSR1 (0.68) NPSR1ALDH1A1TSHRHTR1AHTR1B
SCHEMBL13746186 0.74 NPSR1 (0.72) POLBNPSR1ALDH1A1TSHRHTR1A
SCHEMBL13746189 0.74 ALDH1A1 (0.65) POLBALDH1A1TSHRKMT2AHPGD
SCHEMBL20989158 0.74 MEN1 (0.55) POLBALDH1A1KMT2AGAAHPGD
SCHEMBL20989188 0.72 KMT2A (0.60) POLBALDH1A1TSHRKMT2AGAA

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-20190134056-A1 K-RAS MUTATIONS AND ANTAGONISTS THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOG (US) 2019-05-09 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-20190134056-A1 K-RAS MUTATIONS AND ANTAGONISTS KRAS, NRAS, HRAS POLB 610/4885NPSR1 2556/4885HSD17B10 4764/4885

“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.