SCHEMBL19213858

SCHEMBL19213858

c1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)-c5cccc7cccc-6c57)cc4c4ccc5ccccc5c43)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HIF1A Q16665 1/20 0.35
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ANPEP P15144 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL19213852 1.00 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL19213842 0.96 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL19213843 0.96 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL19213831 0.95 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL19213830 0.95 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL19213679 0.94 ATM (0.38) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL19213676 0.94 ATM (0.38) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL19213642 0.93 KDM4E (0.35) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL19213641 0.93 KDM4E (0.35) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL19213854 0.93 PDE6D (0.35) ALDH1A1TSHRMAPK1HSD17B10HPGD

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-10170707-B2 Compound, material for organic electroluminescence element, organic electroluminescence element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-01-01 US disclosed
US-20180145265-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-24 US disclosed
US-20180145265-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-24 US disclosed
US-20170229661-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-10 US disclosed
US-20170229661-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-10 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 (3 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-20170229661-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE RER1, LEF1, L1CAM ALDH1A1 336/4885TSHR 2922/4885MAPK1 770/4885
US-20180145265-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE RER1, LEF1, L1CAM ALDH1A1 336/4885TSHR 2922/4885MAPK1 770/4885
US-10170707-B2 Compound, material for organic electroluminescence element, organic electroluminescence element, and electronic device RER1, LEF1, L1CAM ALDH1A1 336/4885TSHR 2922/4885MAPK1 770/4885

“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.