SCHEMBL24316940

SCHEMBL24316940

Clc1ccc2c(c1)C1(c3cc4ccccc4cc3-2)C2CC3CC(C2)CC1C3

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.39
CYP2A6 P11509 1/20 0.37
SLC6A3 Q01959 1/20 0.36
HSD11B1 P28845 4/20 0.34
AKR1A1 P14550 2/20 0.33
AKR1B1 P15121 2/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
SLC6A4 P31645 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL25038067 0.91 CYP2A6 (0.44) PDK2CYP2A6SLC6A3HSD11B1SLC6A4
SCHEMBL25038158 0.91 PDK2 (0.39) PDK2CYP2A6SLC6A3HSD11B1SLC6A4
SCHEMBL23609480 0.88 PDK2 (0.42) PDK2HSD11B1AKR1A1AKR1B1
SCHEMBL24316403 0.88 PDK2 (0.40) PDK2CYP2A6SLC6A3HSD11B1AKR1A1
SCHEMBL22780112 0.87 PDK2 (0.45) PDK2HSD11B1AKR1A1AKR1B1CA1
SCHEMBL29733681 0.87 PDK2 (0.45) PDK2HSD11B1AKR1A1AKR1B1CA1
SCHEMBL25501424 0.85 PDK2 (0.38) PDK2HSD11B1AKR1A1AKR1B1
SCHEMBL25879053 0.83 CYP2A6 (0.37) PDK2CYP2A6SLC6A4LMNAMAPT
SCHEMBL30593260 0.82 PDK2 (0.41) PDK2HSD11B1
SCHEMBL23959624 0.82 PDK2 (0.41) PDK2HSD11B1AKR1A1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11800792-B2 Organic compound with spirocyclic adamantane, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-10-24 US disclosed
US-11800792-B2 Organic compound with spirocyclic adamantane, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-10-24 US disclosed
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-04 US disclosed
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-04 US disclosed
US-20230200215-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-20230200215-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-20230052660-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-02-16 US disclosed
WO-2022068292-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME 陕西莱特光电材料股份有限公司 2022-04-07 WO 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 (4 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-11800792-B2 Organic compound with spirocyclic adamantane, and electronic element and electronic device using same OR51E2, SQLE, ODC1 PDK2 327/4885CYP2A6 178/4885SLC6A3 558/4885
US-20230052660-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME NOD1, NFE2L2, NOTCH1 PDK2 3491/4885CYP2A6 899/4885SLC6A3 4182/4885
US-20230200215-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME LEF1, OCIAD1, OR10J3 PDK2 705/4885CYP2A6 504/4885SLC6A3 3896/4885
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same NOD1, NFE2L2, NOTCH1 PDK2 3491/4885CYP2A6 899/4885SLC6A3 4182/4885

“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.