SCHEMBL24316476

SCHEMBL24316476

OC1(c2c(-c3ccc(Cl)cc3)ccc3ccccc23)C2CC3CC(C2)CC1C3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.41
CYP1A1 P04798 4/20 0.37
CYP1A2 P05177 4/20 0.37
CYP1B1 Q16678 4/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
C5AR1 P21730 1/20 0.35
HSD11B1 P28845 1/20 0.34
EGFR P00533 2/20 0.34
ERBB2 P04626 2/20 0.34
GPR84 Q9NQS5 1/20 0.34
ANO1 Q5XXA6 1/20 0.33
PDK2 Q15119 1/20 0.33
P2RX7 Q99572 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL24316388 0.88 CYP1A2 (0.40) SLC6A3CYP1A1CYP1A2CYP1B1HSD11B1
SCHEMBL25037645 0.86 SLC6A3 (0.36) SLC6A3CYP1A1CYP1A2CYP1B1CDK4
SCHEMBL25818598 0.85 AHR (0.41) SLC6A3CYP1A1CYP1A2CYP1B1HSD11B1
SCHEMBL24316387 0.83 CYP1A2 (0.38) SLC6A3CYP1A1CYP1A2CYP1B1HSD11B1
SCHEMBL24316341 0.80 SLC6A3 (0.41) SLC6A3CYP1A1CYP1A2CYP1B1C5AR1
SCHEMBL24316343 0.77 SLC6A3 (0.40) SLC6A3CYP1A2HSD11B1GPR84PDK2
SCHEMBL25818854 0.76 ALOX5 (0.36) CYP1A1CYP1A2CYP1B1ALDH1A1KDM4E
SCHEMBL25038246 0.76 CYP1A2 (0.35) SLC6A3CYP1A1CYP1A2CYP1B1HSD11B1
SCHEMBL24605224 0.75 PDK2 (0.43) SLC6A3HSD11B1PDK2SLC6A2SLC6A4
SCHEMBL22780242 0.75 PDK2 (0.43) SLC6A3HSD11B1PDK2SLC6A2SLC6A4

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 9 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
US-9585884-B2 Pyrimidinone inhibitors of lipoprotein-associated phospholipase A2 AUSPEX PHARMACEUTICALS, INC. (US) 2017-03-07 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 (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 558/4885CYP1A1 306/4885CYP1A2 103/4885
US-20230052660-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME NOD1, NFE2L2, NOTCH1 SLC6A3 4182/4885CYP1A1 49/4885CYP1A2 98/4885
US-20230200215-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME LEF1, OCIAD1, OR10J3 SLC6A3 3896/4885CYP1A1 98/4885CYP1A2 216/4885
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same NOD1, NFE2L2, NOTCH1 SLC6A3 4182/4885CYP1A1 49/4885CYP1A2 98/4885

“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.