SCHEMBL24316943

SCHEMBL24316943

Clc1ccc2c(c1)-c1c(ccc3ccccc13)C21C2CC3CC(C2)CC1C3

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
DHFR P00374 2/20 0.34
TYMS P04818 2/20 0.34
CYP2A6 P11509 1/20 0.33
HSP90AA1 P07900 3/20 0.33
HSP90AB1 P08238 3/20 0.33
HSD11B1 P28845 3/20 0.32
NFKB1 P19838 2/20 0.31
NFKB2 Q00653 2/20 0.31
RELA Q04206 2/20 0.31
PDK2 Q15119 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 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
SCHEMBL24316941 0.91 SLC6A3 (0.36) SLC6A3SLC6A2SLC6A4DHFRTYMS
SCHEMBL24316489 0.84 SLC6A3 (0.36) SLC6A3SLC6A2SLC6A4CYP2A6HSP90AA1
SCHEMBL25038158 0.81 PDK2 (0.39) SLC6A3SLC6A4CYP2A6HSD11B1PDK2
SCHEMBL25035922 0.81 TDP2 (0.33) HSP90AA1HSP90AB1CYP1A2CYP1B1
SCHEMBL24618091 0.80 HSD11B1 (0.36) HSD11B1PDK2
SCHEMBL24316936 0.80 ALOX5 (0.30)
SCHEMBL25035875 0.80 CYP2A6 (0.37) SLC6A3SLC6A2SLC6A4DHFRTYMS
SCHEMBL24728354 0.79 PDK2 (0.49) HSD11B1PDK2CYP1A2
SCHEMBL22797179 0.79 PDK2 (0.49) HSD11B1PDK2CYP1A2
SCHEMBL24316406 0.79 CYP2A6 (0.39) SLC6A3SLC6A2SLC6A4DHFRTYMS

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 SLC6A3 558/4885SLC6A2 638/4885SLC6A4 1667/4885
US-20230052660-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME NOD1, NFE2L2, NOTCH1 SLC6A3 4182/4885SLC6A2 2701/4885SLC6A4 3710/4885
US-20230200215-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME LEF1, OCIAD1, OR10J3 SLC6A3 3896/4885SLC6A2 3345/4885SLC6A4 3717/4885
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same NOD1, NFE2L2, NOTCH1 SLC6A3 4182/4885SLC6A2 2701/4885SLC6A4 3710/4885

“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.