SCHEMBL21972863

SCHEMBL21972863

c1ccc2c(Nc3cccc4c3oc3c(C5CCCCC5)cc5ccccc5c34)cccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.39
CYP1B1 Q16678 1/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 2/20 0.38
EPHX1 P07099 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 2/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CDC25B P30305 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FADS1 O60427 1/20 0.34
GAA P10253 3/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL30645474 0.91 TP53 (0.38) CYP1B1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL21904623 0.91 TP53 (0.38) CYP1B1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL30645487 0.90 ALDH1A1 (0.40) CCR4CYP1B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18482060 0.90 ALDH1A1 (0.40) CCR4CYP1B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL21972415 0.88 ALDH1A1 (0.41) CYP1B1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL21972420 0.87 TP53 (0.36) CYP1B1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL21972174 0.87 ADORA3 (0.36) CCR4CYP1B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL21972178 0.86 ADORA3 (0.36) CYP1B1KDM4EALDH1A1KMT2AMEN1
SCHEMBL21972421 0.85 RAPGEF4 (0.37) CYP1B1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL21972175 0.85 AKR1C3 (0.36) CYP1B1ALDH1A1SMN1; SMN2HPGDTP53

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-20230150988-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2023-05-18 US disclosed
US-20230150988-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2023-05-18 US disclosed
US-20200140422-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2020-05-07 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-20200140422-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device CYP1A1, CYP1B1, CHRM1 CCR4 2733/4885CYP1B1 2/4885KDM4E 3940/4885
US-20230150988-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device CYP1A1, CYP1B1, CHRM1 CCR4 2733/4885CYP1B1 2/4885KDM4E 3940/4885

“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.