SCHEMBL25825262

SCHEMBL25825262

Cc1cccc2c1[nH]c1c3ccccc3ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.58
ALDH1A1 P00352 4/20 0.54
CYP2A6 P11509 3/20 0.54
HPGD P15428 3/20 0.53
KDM4E B2RXH2 3/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
AHR P35869 1/20 0.50
CYP1A2 P05177 3/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 2/20 0.45
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HPRT1 P00492 1/20 0.43
AR P10275 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42

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
SCHEMBL5466693 0.85 KIF11 (0.75) KIF11ALDH1A1CYP2A6HPGDKDM4E
SCHEMBL29368226 0.85 KIF11 (0.75) KIF11ALDH1A1CYP2A6HPGDKDM4E
SCHEMBL30914261 0.85 KIF11 (0.75) KIF11ALDH1A1CYP2A6HPGDKDM4E
SCHEMBL9974571 0.83 KIF11 (0.71) KIF11ALDH1A1CYP2A6KDM4EAHR
SCHEMBL29363363 0.83 KIF11 (0.71) KIF11ALDH1A1CYP2A6KDM4EAHR
SCHEMBL28758305 0.81 KIF11 (0.69) KIF11ALDH1A1CYP2A6HPGDKDM4E
SCHEMBL33523872 0.81 KIF11 (0.69) KIF11ALDH1A1CYP2A6HPGDKDM4E
SCHEMBL29250372 0.81 KIF11 (0.69) KIF11ALDH1A1CYP2A6HPGDKDM4E
SCHEMBL20247764 0.79 KIF11 (0.56) KIF11ALDH1A1CYP2A6HPGDKDM4E
SCHEMBL24562301 0.77 KIF11 (0.58) KIF11ALDH1A1CYP2A6HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203054-A1 ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, THIN FILM, LIGHT-EMITTING APPARATUS, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2023-06-29 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 (1 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-20230203054-A1 ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, THIN FILM, LIGHT-EMITTING APPARATUS, ELECTRONIC DEVICE, AND LIGHTING DEVICE AHR, CYP1A1, CRY1 KIF11 3753/4885ALDH1A1 828/4885CYP2A6 65/4885

“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.