SCHEMBL25501424

SCHEMBL25501424

Clc1ccc2c(c1)-c1ccc(Cl)cc1C21C2CC3CC(C2)CC1C3

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.38
AKR1A1 P14550 2/20 0.34
AKR1B1 P15121 2/20 0.34
HSD11B1 P28845 4/20 0.34
PPOX P50336 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
S100A4 P26447 1/20 0.32
P2RX7 Q99572 2/20 0.31
MAP3K14 Q99558 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL23609480 0.93 PDK2 (0.42) PDK2AKR1A1AKR1B1HSD11B1PPOX
SCHEMBL25878975 0.90 PDK2 (0.33) PDK2HSD11B1
SCHEMBL22797179 0.89 PDK2 (0.49) PDK2AKR1A1AKR1B1HSD11B1ALDH1A1
SCHEMBL24728354 0.89 PDK2 (0.49) PDK2AKR1A1AKR1B1HSD11B1ALDH1A1
SCHEMBL29733681 0.89 PDK2 (0.45) PDK2AKR1A1AKR1B1HSD11B1S100A4
SCHEMBL22780112 0.89 PDK2 (0.45) PDK2AKR1A1AKR1B1HSD11B1S100A4
SCHEMBL25582517 0.86 BACE1 (0.38) PDK2HSD11B1KDM1A
SCHEMBL25962064 0.86 PDK2 (0.39) PDK2HSD11B1ALDH1A1CYP1A2HPGD
SCHEMBL25582528 0.86 BACE1 (0.38) PDK2HSD11B1KDM1A
SCHEMBL25879051 0.86 PDK2 (0.39) PDK2HSD11B1ALDH1A1CYP1A2HPGD

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-11655206-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-05-23 US disclosed
US-11655206-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-05-23 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-11655206-B2 Nitrogen-containing compound, electronic element, and electronic device MNS1, NOS1, NPM1 PDK2 3769/4885AKR1A1 4561/4885AKR1B1 4570/4885

“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.