SCHEMBL13063855

SCHEMBL13063855

CN(C)c1ccc(C(C)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
TSHR P16473 7/20 0.61
HSD17B10 Q99714 5/20 0.61
ALOX15 P16050 4/20 0.61
SLC2A1 P11166 1/20 0.61
MAPK1 P28482 5/20 0.48
CYP3A4 P08684 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2A13 Q16696 1/20 0.42
CHRM5 P08912 1/20 0.42
CHKA P35790 1/20 0.42
HBB P68871 1/20 0.41

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
SCHEMBL5921939 0.91 ESR1 (0.56) ALDH1A1TSHRHSD17B10ALOX15SLC2A1
SCHEMBL5921950 0.91 ESR1 (0.56) ALDH1A1TSHRHSD17B10ALOX15SLC2A1
SCHEMBL15494 0.83 TSHR (0.61) ALDH1A1TSHRHSD17B10ALOX15SLC2A1
SCHEMBL17401207 0.83 ALDH1A1 (0.61) ALDH1A1TSHRHSD17B10ALOX15SLC2A1
SCHEMBL11131357 0.83 ALDH1A1 (0.61) ALDH1A1TSHRHSD17B10ALOX15SLC2A1
Hydrochloric Acid SCHEMBL2870406 0.81 SLC2A1 (0.58) ALDH1A1TSHRHSD17B10ALOX15SLC2A1
SCHEMBL9718478 0.80 ALDH1A1 (0.65) ALDH1A1TSHRHSD17B10ALOX15SLC2A1
SCHEMBL24137113 0.79 SLC2A1 (0.56) ALDH1A1TSHRHSD17B10ALOX15SLC2A1
SCHEMBL3163884 0.79 SLC2A1 (0.70) ALDH1A1TSHRHSD17B10ALOX15SLC2A1
SCHEMBL13917768 0.79 SLC2A1 (0.70) ALDH1A1TSHRHSD17B10ALOX15SLC2A1

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-10651390-B2 Tertiary amine compound, photoelectric conversion element, and solar cell RICOH COMPANY, LTD. (JP) 2020-05-12 US disclosed
US-20170358399-A1 TERTIARY AMINE COMPOUND, PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL RICOH COMPANY, LTD. (JP) 2017-12-14 US disclosed
US-20170358399-A1 TERTIARY AMINE COMPOUND, PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL RICOH COMPANY, LTD. (JP) 2017-12-14 US disclosed
US-9529261-B2 Color-forming composition, color-forming curable composition, lithographic printing plate precursor and plate making method, and color-forming compound FUJIFILM CORPORATION (JP) 2016-12-27 US disclosed
EP-2818522-A1 CHROMOGENIC COMPOSITION, CHROMOGENIC CURABLE COMPOSITION, LITHOGRAPHIC PRINTING PLATE PRECURSOR, PLATEMAKING METHOD, AND CHROMOGENIC COMPOUND FUJIFILM Corporation (JP) 2014-12-31 EP disclosed
US-20100330496-A1 SIMULTANEOUS TWO-PHOTON ABSORPTION RECORDING-REPRODUCTION METHOD, AND SIMULTANEOUS TWO-PHOTON ABSORPTION RECORDING MATERIAL FOR USE THEREIN FUJIFILM CORPORATION (JP) 2010-12-30 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-20170358399-A1 TERTIARY AMINE COMPOUND, PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL SUN2, CRY1, TEAD1 ALDH1A1 631/4885TSHR 2632/4885HSD17B10 2049/4885
US-10651390-B2 Tertiary amine compound, photoelectric conversion element, and solar cell SUN2, CRY1, TEAD1 ALDH1A1 631/4885TSHR 2632/4885HSD17B10 2049/4885

“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.