SCHEMBL20736573

SCHEMBL20736573

c1ccc(N(c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccccc5)c5ccc6c(ccc7ccccc76)c5)ccc3c2C42c3ccccc3-c3ccccc32)c2ccc3c(ccc4ccccc43)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.35
▸ HSD17B10 Q99714 4/20 0.35
▸ HIF1A Q16665 3/20 0.35
▸ CYP1B1 Q16678 3/20 0.35
▸ SOS1 Q07889 1/20 0.34
▸ CYP1A2 P05177 5/20 0.33
▸ HPGD P15428 4/20 0.33
▸ HPRT1 P00492 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ CYP2A6 P11509 1/20 0.32

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
SCHEMBL27251252 1.00 ALDH1A1 (0.35) ALDH1A1HSD17B10HIF1ACYP1B1SOS1
SCHEMBL20737400 1.00 ALDH1A1 (0.35) ALDH1A1HSD17B10HIF1ACYP1B1SOS1
SCHEMBL20737032 0.96 PDK2 (0.35) ALDH1A1CYP1A2L3MBTL1PDK2TDP1
SCHEMBL20736105 0.95 PDK2 (0.33) ALDH1A1HSD17B10HIF1ACYP1B1SOS1
SCHEMBL27251134 0.94 PDK2 (0.33) ALDH1A1HSD17B10HIF1ACYP1B1SOS1
SCHEMBL27251141 0.94 HPRT1 (0.33) ALDH1A1HSD17B10HIF1ACYP1B1SOS1
SCHEMBL27251127 0.94 CYP1A2 (0.34) ALDH1A1HSD17B10HIF1ACYP1B1SOS1
SCHEMBL27251126 0.93 SIGMAR1 (0.35) ALDH1A1HSD17B10HIF1ACYP1B1SOS1
SCHEMBL27251140 0.93 HPRT1 (0.35) ALDH1A1HSD17B10HIF1ACYP1B1SOS1
SCHEMBL20736492 0.92 ALDH1A1 (0.31) ALDH1A1HSD17B10HIF1ASOS1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12022728-B2 Organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2024-06-25 — — US disclosed
US-11552251-B2 Organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2023-01-10 — — US disclosed
US-20190051835-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2019-02-14 — — 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-11552251-B2 Organic electroluminescent element and electronic device L1CAM, ESR1, LEF1 ALDH1A1 125/4885HSD17B10 2760/4885HIF1A 3014/4885
US-20190051835-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE L1CAM, ESR1, LEF1 ALDH1A1 125/4885HSD17B10 2760/4885HIF1A 3014/4885
US-12022728-B2 Organic electroluminescent element and electronic device L1CAM, ESR1, LEF1 ALDH1A1 125/4885HSD17B10 2760/4885HIF1A 3014/4885

“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.

Send feedback