SCHEMBL7126450

SCHEMBL7126450

CC1(C)Cc2[nH]c3ccccc3c(=O)c2C(C)(C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
HTT P42858 4/20 0.44
GAA P10253 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 3/20 0.44
GLA P06280 2/20 0.44
LMNA P02545 2/20 0.44
ATM Q13315 1/20 0.44
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 4/20 0.40
SLC2A1 P11166 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
POLB P06746 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL14895777 0.71 ALDH1A1 (0.53) ALDH1A1KDM4EHTTGAASMN1; SMN2
SCHEMBL16248380 0.70 KMT2A (0.49) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL14730815 0.67 MEN1 (0.44) ALDH1A1KDM4EHTTGAASMN1; SMN2
SCHEMBL30583743 0.65 KDM4E (0.66) ALDH1A1KDM4EHTTGAASMN1; SMN2
SCHEMBL29378703 0.65 KDM4E (0.66) ALDH1A1KDM4EHTTGAASMN1; SMN2
SCHEMBL2630572 0.65 KDM4E (0.66) ALDH1A1KDM4EHTTGAASMN1; SMN2
SCHEMBL21549119 0.65 HTR2A (0.42) ALDH1A1KDM4ESMN1; SMN2HSD17B10MEN1
SCHEMBL4146783 0.65 ALDH1A1 (0.90) ALDH1A1KDM4EHTTGAASMN1; SMN2
Acridone SCHEMBL29641306 0.65 ALDH1A1 (1.00) ALDH1A1KDM4EHTTGAASMN1; SMN2
SCHEMBL30350396 0.65 ALDH1A1 (0.90) ALDH1A1KDM4EHTTGAASMN1; SMN2

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-20030225078-A1 Derivatives of quinoline as alpha-2 antagonists ORION CORPORATION 2003-12-04 US disclosed
US-6593324-B2 P-aminoanilino- derivatives ORION CORPORATION (FI) 2003-07-15 US disclosed
US-20010046991-A1 Derivatives of quinoline as alpha-2 antagonists OY JUVANTIA PHARMA LTD. (FI) 2001-11-29 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-20030225078-A1 Derivatives of quinoline as alpha-2 antagonists ADRB2, ADRA2A, ADRB1 ALDH1A1 467/4885KDM4E 3467/4885HTT 2237/4885
US-20010046991-A1 Derivatives of quinoline as alpha-2 antagonists ADRB2, ADRA2A, ADRB1 ALDH1A1 467/4885KDM4E 3467/4885HTT 2237/4885

“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.