SCHEMBL18487332

SCHEMBL18487332

C=CCOc1ccc2c3ccc(OC)cc3n(CC=C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.45
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAOA P21397 2/20 0.41
ACHE P22303 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HASPIN Q8TF76 3/20 0.40
DYRK3 O43781 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
SCHEMBL20438859 0.84 KDM4E (0.44) DYRK1AALDH1A1MAPTKDM4ENPC1
SCHEMBL18487538 0.84 ACHE (0.48) DYRK1AALDH1A1MAPTGAAKDM4E
SCHEMBL20800900 0.84 ACHE (0.57) DYRK1AALDH1A1MAPTGAAKDM4E
SCHEMBL23150420 0.77 DYRK1A (0.73) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL5355917 0.76 CA12 (0.55) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL2794137 0.75 TNFRSF1A (0.46) DYRK1AALDH1A1MAPTGAAKDM4E
SCHEMBL18487328 0.75 MAOA (0.61) DYRK1AALDH1A1MAPTGAAKDM4E
SCHEMBL2792990 0.74 TNFRSF1A (0.43) DYRK1AALDH1A1MAPTKDM4EPOLB
SCHEMBL16798183 0.73 CA12 (0.53) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL123591 0.73 MAOB (0.53) ALDH1A1MAPTGAAKDM4EACHE

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-20200247751-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2020-08-06 US disclosed
US-20190077755-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2019-03-14 US disclosed
WO-2017023916-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2017-02-09 WO 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-20190077755-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT DYRK1A 2487/4885ALDH1A1 950/4885MAPT 3890/4885
US-20200247751-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT DYRK1A 2487/4885ALDH1A1 950/4885MAPT 3890/4885

“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.