SCHEMBL6044185

SCHEMBL6044185

CN(C)c1ccc2cc(CO)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.49
TERT O14746 1/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 3/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CALM1 P0DP23 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL13487155 0.82 CYP1A2 (0.57) APPTERTALDH1A1TSHRCYP3A4
SCHEMBL14311184 0.80 APP (0.45) APPTERTALDH1A1TSHRCYP3A4
SCHEMBL29749150 0.80 CA2 (0.54) TSHRCA12CA2CA3CA4
SCHEMBL12566471 0.80 TERT (0.64) APPTERTALDH1A1TSHRCYP3A4
SCHEMBL1206769 0.80 CA2 (0.54) TSHRCA12CA2CA3CA4
SCHEMBL15131776 0.78 SIGMAR1 (0.47) APPTERTALDH1A1TSHRCYP3A4
SCHEMBL165131 0.78 ALDH1A1 (0.64) APPALDH1A1TSHRCYP3A4MAPK1
SCHEMBL14311185 0.77 SIGMAR1 (0.46) APPTERTALDH1A1TSHRCYP3A4
SCHEMBL25085593 0.76 CYP1A2 (0.55) APPTERTALDH1A1TSHRCYP3A4
SCHEMBL5593599 0.75 CYP1A2 (0.51) ALDH1A1CYP3A4ALOX15CYP1A2

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-20100048604-A1 Ligands for Aldoketoreductases TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-02-25 US disclosed
US-20100048604-A1 Ligands for Aldoketoreductases TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-02-25 US disclosed
US-20060142311-A1 Prodan-containing nucleotide and use thereof KYOTO UNIVERSITY 2006-06-29 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 (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-20100048604-A1 Ligands for Aldoketoreductases AKR1C2, AKR1C1, AKR1B1 APP 3894/4885TERT 3087/4885ALDH1A1 18/4885
US-20060142311-A1 Prodan-containing nucleotide and use thereof PNP, NUDT1, NT5C2 APP 1109/4885TERT 499/4885ALDH1A1 1902/4885

“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.