SCHEMBL21972415

SCHEMBL21972415

c1ccc(Nc2cccc3c2oc2c(C4CCCC4)cc4ccccc4c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
ATM Q13315 2/20 0.41
CDC25B P30305 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
GLA P06280 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDE5A O76074 1/20 0.38
TTR P02766 1/20 0.34
FABP4 P15090 1/20 0.34

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 0.99 ALDH1A1 (0.40) ALDH1A1HPGDATMCDC25BTP53
SCHEMBL18482060 0.99 ALDH1A1 (0.40) ALDH1A1HPGDATMCDC25BTP53
SCHEMBL21972414 0.95 CDC25B (0.43) ALDH1A1HPGDATMCDC25BTP53
SCHEMBL21972178 0.92 ADORA3 (0.36) ALDH1A1HPGDATMCDC25BTP53
SCHEMBL21972175 0.92 AKR1C3 (0.36) ALDH1A1HPGDATMCDC25BTP53
SCHEMBL21972861 0.89 SMN1; SMN2 (0.36) MAPTADORA3FADS1POLBSMN1; SMN2
SCHEMBL21972174 0.89 ADORA3 (0.36) ALDH1A1HPGDCYP3A4HSD17B10KDM4E
SCHEMBL21972176 0.88 ALDH1A1 (0.36) ALDH1A1HPGDATMCDC25BTP53
SCHEMBL21972863 0.88 CCR4 (0.39) ALDH1A1HPGDATMCDC25BTP53
SCHEMBL21904623 0.86 TP53 (0.38) ALDH1A1HPGDTP53KDM4EMEN1

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 ALDH1A1 482/4885HPGD 1271/4885ATM 3800/4885
US-20230150988-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device CYP1A1, CYP1B1, CHRM1 ALDH1A1 482/4885HPGD 1271/4885ATM 3800/4885

“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.