SCHEMBL4050941

SCHEMBL4050941

CC(=O)Cc1ccc(C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SRC P12931 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
P2RX7 Q99572 2/20 0.42
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PSMB5 P28074 3/20 0.41
PSMB8 P28062 1/20 0.41
CYP3A4 P08684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
PYCR1 P32322 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
SCHEMBL14729157 0.85 NPC1 (0.46) NPC1RAB9ASRCMEN1KMT2A
SCHEMBL9969945 0.83 TAAR1 (0.48) NPC1RAB9ASRCMEN1KMT2A
SCHEMBL1257788 0.83 SRC (0.62) NPC1RAB9ASRCMEN1KMT2A
SCHEMBL1257786 0.83 NPSR1 (0.45) NPC1RAB9ASRCMEN1KMT2A
SCHEMBL3031232 0.83 TP53 (0.44) NPC1RAB9ASRCMEN1KMT2A
SCHEMBL2702114 0.82 ICMT (0.45) NPC1RAB9ASRCMEN1KMT2A
SCHEMBL2530247 0.82 P2RX7 (0.44) NPC1RAB9ASRCMEN1KMT2A
SCHEMBL4681634 0.82 NPC1 (0.44) NPC1RAB9ASRCMEN1KMT2A
Hydrochloric Acid SCHEMBL2530248 0.82 SRC (0.61) NPC1RAB9ASRCMEN1KMT2A
SCHEMBL9268651 0.82 NPC1 (0.44) NPC1RAB9ASRCMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10441946-B2 Linear alpha-olefin catalysts and preparation and use thereof APALENE TECHNOLOGY CO., LTD. (HANGZHOU) (CN) 2019-10-15 US disclosed
US-20180214413-A1 Small Molecule Agonists and Antagonists of NR2F6 Activity in Humans KCL THERAPEUTICS, INC 2018-08-02 US disclosed
US-20180147571-A1 NOVEL LINEAR ALPHA-OLEFIN CATALYSTS AND PREPARATION AND USE THEREOF APALENE TECHNOLOGY CO., LTD. (JIAXING) (CN) 2018-05-31 US disclosed
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 US disclosed
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed
US-4588749-A ANTIOBESITY AND HYPOGLYCEMIC AGENTS BEECHAM GROUP P.L.C. (GB) 1986-05-13 US disclosed
EP-0040000-B1 ARYLETHANOLAMINE DERIVATIVES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1983-10-12 EP disclosed
EP-0040000-A1 Arylethanolamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-11-18 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 (4 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-20180147571-A1 NOVEL LINEAR ALPHA-OLEFIN CATALYSTS AND PREPARATION AND USE THEREOF UBE2L3, RNF168, AGL NPC1 3521/4885RAB9A 3123/4885SRC 3878/4885
US-20180214413-A1 Small Molecule Agonists and Antagonists of NR2F6 Activity in Humans NR4A2, NR2C2, NR0B2 NPC1 1496/4885RAB9A 3645/4885SRC 1195/4885
US-20110046108-A1 PYRIMIDINE DERIVATIVES EPHB4, EPHB1, EPHB3 NPC1 2858/4885RAB9A 1703/4885SRC 18/4885
US-10441946-B2 Linear alpha-olefin catalysts and preparation and use thereof UBE2L3, COG8, ACSL3 NPC1 3364/4885RAB9A 3127/4885SRC 3732/4885

“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.