SCHEMBL22632586

SCHEMBL22632586

CCn1c[c]c2cc(OC)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GRIK2 Q13002 3/20 0.39
GRIK1 P39086 2/20 0.39
PTGER4 P35408 1/20 0.39
HTR2C P28335 1/20 0.38
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL6235287 0.83 GRM2 (0.46) HTR6TDP1KDM4EALDH1A1RAB9A
SCHEMBL2117424 0.80 HTR6 (0.48) HTR6ALDH1A1TSHRMAPTKMT2A
SCHEMBL4384076 0.79 KCNA3 (0.46) KDM4EALDH1A1TSHRMAPTMEN1
SCHEMBL407685 0.77 ALDH1A1 (0.42) HTR6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL17956279 0.76 CNR2 (0.49) KDM4EALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL15062690 0.75 IDO1 (0.39) TDP1KDM4EMAPTMEN1KMT2A
SCHEMBL17956248 0.75 CNR2 (0.51)
SCHEMBL7232114 0.70 HTR2C (0.64) HTR6TDP1KDM4EMAPTMEN1
SCHEMBL3091133 0.67 P2RX4 (0.48) HTR6KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL12614376 0.67 HTR6 (0.59) HTR6TDP1KDM4EALDH1A1RAB9A

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-20200354348-A1 SEMISYNTHETIC AURONES AND METHODS OF USE THEREOF UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2020-11-12 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-20200354348-A1 SEMISYNTHETIC AURONES AND METHODS OF USE THEREOF AURKA, CYP7A1, SLC7A1 HTR6 2168/4885TDP1 1976/4885KDM4E 1113/4885

“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.