SCHEMBL20540824

SCHEMBL20540824

C#CCOc1cccc(OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.48
MAOA P21397 6/20 0.46
EGLN1 Q9GZT9 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.41
GSTP1 P09211 1/20 0.40
CA12 O43570 4/20 0.39
CA9 Q16790 4/20 0.39
CA4 P22748 3/20 0.39
CA1 P00915 1/20 0.39
GMPS P49915 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2B6 P20813 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
MTNR1A P48039 1/20 0.38
ACHE P22303 1/20 0.37

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
SCHEMBL13338101 0.85 MAOB (0.59) MAOBMAOAGSTP1CA12CA9
SCHEMBL10576255 0.80 TP53 (0.53) MAOBMAOAGSTP1CA12CA9
SCHEMBL791878 0.80 MAOB (0.54) MAOBMAOATSHR
SCHEMBL13165218 0.79 SOD1 (0.49) MAOBMAOAGSTP1CA12CA9
SCHEMBL260934 0.79 KIF11 (0.47) MAOBEGLN1EGLN3CA9CA1
SCHEMBL13498453 0.79 MAOB (0.44) MAOBMAOAGSTP1CA12CA9
SCHEMBL22924645 0.78 TP53 (0.55) CYP1A2KDM4EALDH1A1GAATSHR
SCHEMBL2846222 0.77 MAOB (0.51) MAOBMAOAGSTP1GMPSCYP1A1
SCHEMBL4815490 0.77 MAOB (0.52) MAOBMAOAGSTP1KDM4EALDH1A1
Ethylene SCHEMBL27903208 0.75 TP53 (0.52) CYP1A2KDM4EALDH1A1GAATSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889546-B2 Alkynyl pyridine prolyl hydroxylase inhibitor, and preparation method and medical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-01-12 US disclosed
US-20200407319-A1 ALKYNYL PYRIDINE PROLYL HYDROXYLASE INHIBITOR, AND PREPARATION METHOD AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. 2020-12-31 US disclosed
EP-3360862-B1 ALKYNYL PYRIDINE PROLYL HYDROXYLASE INHIBITOR, AND PREPARATION METHOD AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2020-04-22 EP disclosed
US-20180305317-A1 ALKYNYL PYRIDINE PROLYL HYDROXYLASE INHIBITOR, AND PREPARATION METHOD AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-10-25 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 (3 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-20180305317-A1 ALKYNYL PYRIDINE PROLYL HYDROXYLASE INHIBITOR, AND PREPARATION METHOD AND MEDICAL USE THEREOF EGLN3, EGLN2, EPOR MAOB 303/4885MAOA 464/4885EGLN1 10/4885
US-10889546-B2 Alkynyl pyridine prolyl hydroxylase inhibitor, and preparation method and medical use thereof EGLN3, EGLN2, EPOR MAOB 303/4885MAOA 464/4885EGLN1 10/4885
US-20200407319-A1 ALKYNYL PYRIDINE PROLYL HYDROXYLASE INHIBITOR, AND PREPARATION METHOD AND MEDICAL USE THEREOF EGLN3, EGLN2, EPOR MAOB 303/4885MAOA 464/4885EGLN1 10/4885

“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.