SCHEMBL24626693

SCHEMBL24626693

Clc1ccc2c(c1)C1(c3ccccc3-2)C2CC3CC4CC1C2(C3)C4

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.41
AKR1A1 P14550 1/20 0.38
AKR1B1 P15121 1/20 0.38
P2RX7 Q99572 2/20 0.33
CNR1 P21554 1/20 0.32
S100A4 P26447 1/20 0.32
KMT2A Q03164 1/20 0.31
GPR3 P46089 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
SCHEMBL24272471 0.92 PDK2 (0.44) PDK2AKR1A1AKR1B1P2RX7CNR1
SCHEMBL24272494 0.85 PDK2 (0.36) PDK2AKR1A1AKR1B1
SCHEMBL24272472 0.84 PDK2 (0.40) PDK2
SCHEMBL24272563 0.84 PDK2 (0.33) PDK2AKR1A1AKR1B1CNR1
SCHEMBL22780112 0.80 PDK2 (0.45) PDK2AKR1A1AKR1B1S100A4GPR3
SCHEMBL29733681 0.80 PDK2 (0.45) PDK2AKR1A1AKR1B1S100A4GPR3
SCHEMBL24627068 0.80 MAPK14 (0.39) PDK2P2RX7
SCHEMBL23628262 0.79 PDK2 (0.40) PDK2P2RX7
SCHEMBL23614642 0.78 PDK2 (0.33) PDK2
SCHEMBL23331967 0.78 PDK2 (0.41) PDK2P2RX7

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-20220223800-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-07-14 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-20220223800-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT, AND ELECTRONIC DEVICE OCIAD2, EMC2, OCIAD1 PDK2 1517/4885AKR1A1 1468/4885AKR1B1 1601/4885

“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.