SCHEMBL12377523

SCHEMBL12377523

CC(C)c1cccc(C(C)C)c1Nc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.52
ALDH1A1 P00352 3/20 0.52
TP53 P04637 2/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
CDC25B P30305 1/20 0.52
ATM Q13315 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CCR4 P51679 6/20 0.51
SIGMAR1 Q99720 1/20 0.51
RAB9A P51151 1/20 0.46
GAA P10253 4/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 3/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 2/20 0.44
FADS1 O60427 1/20 0.44
KEAP1 Q14145 1/20 0.43

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
SCHEMBL12858919 0.87 ALDH1A1 (0.53) CYP3A4ALDH1A1TP53HPGDALOX15
SCHEMBL31447156 0.85 LMNA (0.47) CYP3A4HPGDTSHRCCR4SIGMAR1
SCHEMBL6744857 0.85 LMNA (0.47) CYP3A4HPGDTSHRCCR4SIGMAR1
SCHEMBL12302114 0.78 HSD17B10 (0.65) CYP3A4ALDH1A1TP53HPGDALOX15
SCHEMBL29444854 0.78 HSD17B10 (0.65) CYP3A4ALDH1A1TP53HPGDALOX15
SCHEMBL4804825 0.78 CXCL8 (0.44) ALDH1A1MAPT
SCHEMBL1005996 0.78 ALDH1A1 (0.38) CYP3A4ALDH1A1HPGDALOX15CCR4
SCHEMBL4131377 0.76 CXCR2 (0.45) CYP3A4ALDH1A1HPGDTSHRCYP1A2
SCHEMBL13800729 0.76 LMNA (0.41) CYP3A4HPGDTSHRCCR4SIGMAR1
SCHEMBL2927809 0.76 LMNA (0.41) CYP3A4HPGDTSHRRAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160376234-A1 COLORING CURABLE RESIN COMPOSITION, CURED FILM, COLOR FILTER, METHOD FOR MANUFACTURING COLOR FILTER, SOLID-STATE IMAGING DEVICE, IMAGE DISPLAY DEVICE, COMPOUND, AND CATION FUJIFILM CORPORATION (JP) 2016-12-29 US disclosed
US-8729201-B2 Process for polymerizing an olefin monomer and catalyst therefor DOW GLOBAL TECHNOLOGIES LLC (US) 2014-05-20 US disclosed
US-8729201-B2 Process for polymerizing an olefin monomer and catalyst therefor DOW GLOBAL TECHNOLOGIES LLC (US) 2014-05-20 US disclosed
US-20110207903-A1 PROCESS FOR POLYMERIZING AN OLEFIN MONOMER AND CATALYST THEREFOR DOW GLOBAL TECHNOLOGIES LLC 2011-08-25 US disclosed
US-20110207903-A1 PROCESS FOR POLYMERIZING AN OLEFIN MONOMER AND CATALYST THEREFOR DOW GLOBAL TECHNOLOGIES LLC 2011-08-25 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-20110207903-A1 PROCESS FOR POLYMERIZING AN OLEFIN MONOMER AND CATALYST THEREFOR NOTUM, FAR1, WASF2 CYP3A4 188/4885ALDH1A1 1577/4885TP53 3577/4885
US-20160376234-A1 COLORING CURABLE RESIN COMPOSITION, CURED FILM, COLOR FILTER, METHOD FOR MANUFACTURING COLOR FILTER, SOLID-STATE IMAGING DEVICE, IMAGE DISPLAY DEVICE, COMPOUND, AND CATION O60361, WDR12, SEM1 CYP3A4 2633/4885ALDH1A1 2079/4885TP53 4073/4885

“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.