SCHEMBL25817350

SCHEMBL25817350

CC(C)(C)c1nc(-c2ccc3ccccc3c2)nc(C(C)(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CYP1A2 P05177 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 2/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL19862808 0.96 GSTP1 (0.41) GSTP1ESR1ESR2CYP1A2SMN1; SMN2
SCHEMBL23473684 0.91 MEN1 (0.49) GSTP1ESR1ESR2CYP1A2SMN1; SMN2
SCHEMBL23759845 0.89 CYP1A2 (0.36) GSTP1ESR1ESR2CYP1A2SMN1; SMN2
SCHEMBL25822066 0.87 IKBKB (0.36) GSTP1ESR1ESR2CYP1A2SMN1; SMN2
SCHEMBL22249759 0.86 MEN1 (0.44) ESR1ESR2CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL25878008 0.86 MEN1 (0.47) ESR1ESR2CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL25833219 0.86 CYP1A2 (0.37) GSTP1ESR1ESR2CYP1A2SMN1; SMN2
SCHEMBL25877992 0.86 ESR1 (0.46) ESR1ESR2CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL25878084 0.83 NPC1 (0.46) CYP1A2SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL25877989 0.83 ALDH1A1 (0.42) CYP1A2ALDH1A1HSD17B10HPGDTSHR

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-20230217825-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-06 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-20230217825-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME OR10J3, AOC2, EPCAM GSTP1 3135/4885ESR1 9/4885ESR2 46/4885

“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.