SCHEMBL26014248

SCHEMBL26014248

O=[N+]([O-])c1ccccc1-c1ccc2c(c1)-c1cccc(Br)c1C2(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 3/20 0.39
ADORA1 P30542 1/20 0.36
HPRT1 P00492 1/20 0.35
CTSB P07858 1/20 0.34
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
PTGES O14684 1/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 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
SCHEMBL26014231 0.84 ALDH1A1 (0.46) ALDH1A1TDP1ADORA1CTSBGABRP
SCHEMBL24730443 0.77 PDK2 (0.33) ALDH1A1TDP1LMNAMEN1MAPT
SCHEMBL23231221 0.76 ALDH1A1 (0.44) ALDH1A1TDP1ADORA1HPRT1TSHR
SCHEMBL26014254 0.74 ALDH1A1 (0.42) ALDH1A1TDP1HPRT1CTSBTSHR
SCHEMBL26014250 0.74 ALDH1A1 (0.45) ALDH1A1TDP1ADORA1HPRT1MEN1
SCHEMBL26014240 0.74 ALDH1A1 (0.54) ALDH1A1TDP1HPRT1TSHRMEN1
SCHEMBL26014191 0.72 CA1 (0.36) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL26014266 0.72 ALDH1A1 (0.46) ALDH1A1TDP1ADORA1TSHRMEN1
SCHEMBL15821435 0.71 HPRT1 (0.57) ALDH1A1TDP1ADORA1HPRT1TSHR
SCHEMBL20175733 0.71 ALDH1A1 (0.51) ALDH1A1TDP1ADORA1HPRT1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257387-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-17 US disclosed
US-20230257387-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-17 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-20230257387-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF OCIAD1, OCIAD2, EPCAM ALDH1A1 657/4885TDP1 2811/4885ADORA1 3279/4885

“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.