Sugi Predict

Sugi Predict / Compounds / SCHEMBL21972178

SCHEMBL21972178

SCHEMBL21972178

c1ccc(-c2ccc(Nc3cccc4c3oc3c(C5CCCCC5)cc5ccccc5c34)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.36
▸ SCTR P47872 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 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
▸ PDE5A O76074 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.33
▸ PTGER4 P35408 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 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
SCHEMBL30645487 0.94 ALDH1A1 (0.40) ADORA3ALDH1A1TP53CYP3A4HPGD
SCHEMBL18482060 0.94 ALDH1A1 (0.40) ADORA3ALDH1A1TP53CYP3A4HPGD
SCHEMBL21972175 0.93 AKR1C3 (0.36) ADORA3ALDH1A1TP53CYP3A4HPGD
SCHEMBL21972415 0.92 ALDH1A1 (0.41) ADORA3ALDH1A1TP53CYP3A4HPGD
SCHEMBL21972174 0.88 ADORA3 (0.36) ADORA3ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL21972414 0.88 CDC25B (0.43) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL21972863 0.86 CCR4 (0.39) ALDH1A1TP53CYP3A4HPGDALOX15
SCHEMBL21972861 0.84 SMN1; SMN2 (0.36) ADORA3CYP1B1POLBCASP3SENP7
SCHEMBL21904623 0.84 TP53 (0.38) ALDH1A1TP53HPGDCYP1B1KDM4E
SCHEMBL30645474 0.84 TP53 (0.38) ALDH1A1TP53HPGDCYP1B1KDM4E

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 ADORA3 2489/4885SCTR 4473/4885ALDH1A1 482/4885
US-20230150988-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device CYP1A1, CYP1B1, CHRM1 ADORA3 2489/4885SCTR 4473/4885ALDH1A1 482/4885

“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.