SCHEMBL30985258

SCHEMBL30985258

CC(C)(C)c1cccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
PTPN5 P54829 1/20 0.39
HSP90AA1 P07900 1/20 0.39
POLB P06746 1/20 0.37
PTAFR P25105 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NPC1 O15118 1/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL30985262 0.90 KIF11 (0.50) KIF11RXRARXRBPTPN5POLB
SCHEMBL4756144 0.86 HSP90AA1 (0.41) RXRARXRBHSP90AA1POLBALDH1A1
SCHEMBL31115680 0.80 KIF11 (0.52) KIF11RXRARXRBPTPN5POLB
SCHEMBL31754131 0.79 KIF11 (0.47) KIF11RXRARXRBPTPN5POLB
SCHEMBL31115679 0.78 KIF11 (0.50) KIF11RXRARXRBPTPN5PTAFR
SCHEMBL31326803 0.77 KIF11 (0.49) KIF11RXRARXRBPTPN5PTAFR
SCHEMBL841200 0.77 KIF11 (0.49) KIF11RXRARXRBPTPN5PTAFR
SCHEMBL31341405 0.76 MAOA (0.44) KIF11RXRARXRBPOLBALDH1A1
SCHEMBL30963726 0.75 MAOA (0.42) KIF11RXRARXRBPOLBALDH1A1
SCHEMBL31512148 0.75 MAOA (0.42) KIF11RXRARXRBPOLBALDH1A1

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-20240270761-A1 METHOD OF PREPARING HETEROCYCLIC COMPOUND, HETEROCYCLIC COMPOUND PREPARED ACCORDING TO THE METHOD, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND, AND ELECTRONIC APPARATUS AND ELECTRONIC EQUIPMENT INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-08-15 US disclosed
EP-4397734-A1 METHOD OF PREPARING HETEROCYCLIC COMPOUND, HETEROCYCLIC COMPOUND PREPARED ACCORDING TO THE METHOD, LIGHT-EMITTING DEVICE COMPRISING THE HETEROCYCLIC COMPOUND, AND ELECTRONIC APPARATUS AND ELECTRONIC EQUIPMENT COMPRISING THE LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2024-07-10 EP 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-20240270761-A1 METHOD OF PREPARING HETEROCYCLIC COMPOUND, HETEROCYCLIC COMPOUND PREPARED ACCORDING TO THE METHOD, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND, AND ELECTRONIC APPARATUS AND ELECTRONIC EQUIPMENT INCLUDING THE LIGHT-EMITTING DEVICE CYP1A1, CYP1B1, CYP2J2 KIF11 2475/4885RXRA 4235/4885RXRB 4428/4885

“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.