SCHEMBL12733196

SCHEMBL12733196

CC(C)(C)c1cnc(O)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
ALOX15 P16050 5/20 0.43
HSD17B10 Q99714 5/20 0.43
HIF1A Q16665 3/20 0.43
TSHR P16473 3/20 0.43
ALOX12 P18054 2/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
RECQL P46063 2/20 0.43
CYP3A4 P08684 1/20 0.43
CASP1 P29466 1/20 0.43
CYP2C9 P11712 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
CHEK1 O14757 1/20 0.37
DAPK3 O43293 1/20 0.37
RET P07949 1/20 0.37

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
SCHEMBL940808 0.79 ALDH1A1 (0.41) ALDH1A1ALOX15HSD17B10HIF1ATSHR
SCHEMBL26151630 0.77 ALOX5AP (0.40) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL7749594 0.77 HSP90AA1 (0.42) ALDH1A1ALOX15HSD17B10TSHRHPGD
SCHEMBL31614280 0.76 CNR2 (0.40) ALDH1A1ALOX15HSD17B10HIF1ATSHR
SCHEMBL31358204 0.75 HTT (0.54) ALDH1A1ALOX15HSD17B10HIF1ATSHR
SCHEMBL1104676 0.75 CHRNB2 (0.39) ALDH1A1ALOX15HSD17B10HIF1ATSHR
SCHEMBL10197339 0.72 HSP90AA1 (0.36) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL31525360 0.72 S100A9 (0.35) ALDH1A1ALOX15HSD17B10HIF1ATSHR
SCHEMBL1922433 0.71
SCHEMBL8150851 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230135868-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, PHOTOELECTRIC CONVERSION APPARATUS, ELECTRONIC EQUIPMENT, LIGHTING APPARATUS, MOVING BODY, AND EXPOSURE LIGHT SOURCE CANON KABUSHIKI KAISHA (JP) 2023-05-04 US disclosed
US-20230135868-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, PHOTOELECTRIC CONVERSION APPARATUS, ELECTRONIC EQUIPMENT, LIGHTING APPARATUS, MOVING BODY, AND EXPOSURE LIGHT SOURCE CANON KABUSHIKI KAISHA (JP) 2023-05-04 US disclosed
US-7932283-B2 Fungicide N-cyclopropyl-sulfonylamide derivatives BAYER CROPSCIENCE AG (DE) 2011-04-26 US disclosed
US-7932283-B2 Fungicide N-cyclopropyl-sulfonylamide derivatives BAYER CROPSCIENCE AG (DE) 2011-04-26 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 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-20230135868-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, PHOTOELECTRIC CONVERSION APPARATUS, ELECTRONIC EQUIPMENT, LIGHTING APPARATUS, MOVING BODY, AND EXPOSURE LIGHT SOURCE L1CAM, APOL1, TBL2 ALDH1A1 50/4885ALOX15 1948/4885HSD17B10 3742/4885
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives CYP51A1, ERG28, CBR3 ALDH1A1 2140/4885ALOX15 4338/4885HSD17B10 1544/4885

“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.