SCHEMBL23934121

SCHEMBL23934121

CC(C)(C)c1cc2cc(CC(C)(C)c3cc4ccccc4[nH]3)cnc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
AHR P35869 1/20 0.36
SYK P43405 3/20 0.34
ESR1 P03372 1/20 0.33
IDO1 P14902 1/20 0.32
CYP19A1 P11511 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CASP3 P42574 1/20 0.31
KMT2A Q03164 1/20 0.31
SENP8 Q96LD8 1/20 0.31

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
SCHEMBL22077190 0.79 RIPK1 (0.38) SYK
SCHEMBL399327 0.75 AHR (0.50) KDM4EALDH1A1HPGDAHRNPC1
SCHEMBL30435112 0.75 AHR (0.50) KDM4EALDH1A1HPGDAHRNPC1
SCHEMBL18673117 0.73 AHR (0.33) KDM4EALDH1A1HPGDAHRESR1
SCHEMBL21755159 0.73 PDE10A (0.34) KDM4EALDH1A1HPGDAHRESR1
SCHEMBL22025096 0.71 RIPK1 (0.39) SYK
SCHEMBL23478697 0.71 NR3C1 (0.35) SYKMAPTCYP2C9
SCHEMBL18400252 0.71 RIPK1 (0.37)
SCHEMBL20252776 0.71 AHR (0.33) KDM4EALDH1A1HPGDAHRESR1
SCHEMBL19171092 0.71 RIPK1 (0.36) RETKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-10-05 US disclosed
US-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF KANSAS 2021-10-21 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-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, CHRM2 KDM4E 4105/4885ALDH1A1 2789/4885HPGD 3694/4885
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, DRD2 KDM4E 4207/4885ALDH1A1 2379/4885HPGD 3456/4885

“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.