SCHEMBL2012175

SCHEMBL2012175

CC1(C)CCC(C)(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.44
LIPG Q9Y5X9 13/20 0.44
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
BACE1 P56817 2/20 0.38
F11 P03951 1/20 0.37

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
SCHEMBL16998416 0.93 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL2014065 0.89 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL25791309 0.87 LIPG (0.56) LPLLIPGCA1CA2CA9
SCHEMBL25791311 0.83 RARA (0.50) LPLLIPGRXRARARBRARG
SCHEMBL2225037 0.83 BACE1 (0.43) LPLLIPGCA1CA2CA9
SCHEMBL14804347 0.83 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL16905126 0.82 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL25791410 0.82 RARA (0.52) LPLLIPGRXRARARBRARG
SCHEMBL29410000 0.81 LPL (0.41) LPLLIPGCA1CA2CA9
SCHEMBL29409998 0.81 LPL (0.41) LPLLIPGCA1CA2CA9

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240032413-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2024-01-25 US disclosed
US-20230380267-A1 COMPOUNDS FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-11-23 US disclosed
US-20230380267-A1 COMPOUNDS FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-11-23 US disclosed
US-20230380267-A1 COMPOUNDS FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-11-23 US disclosed
WO-2023134228-A1 NITROGEN-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME, AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2023-07-20 WO disclosed
WO-2023124205-A1 ORGANIC COMPOUNDS, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2023-07-06 WO disclosed
WO-2022229234-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-11-03 WO disclosed
WO-2022069422-A1 COMPOUNDS FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-04-07 WO disclosed
US-20170170413-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-06-15 US disclosed
US-20170170413-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-06-15 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
WO-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO disclosed
WO-2011082732-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-07-14 WO disclosed
WO-2011082732-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-07-14 WO disclosed
WO-2011072791-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-06-23 WO disclosed
WO-2011072791-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-06-23 WO disclosed
US-20100093088-A1 RETINOID COMPOUNDS AND THEIR USE REINNERVATE LIMITED (GB) 2010-04-15 US disclosed
WO-2008025965-A2 RETINOID COMPOUNDS AND THEIR USE REINNERVATE LIMITED (GB) 2008-03-06 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-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, SPHK2, S1PR3 LPL 2372/4885LIPG 1527/4885CA1 3827/4885
US-20240032413-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME ODC1, RPS14, MRPL11 LPL 4370/4885LIPG 4715/4885CA1 2501/4885
US-20170170413-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 LPL 3163/4885LIPG 3210/4885CA1 2357/4885
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, S1PR3, SPHK2 LPL 2320/4885LIPG 478/4885CA1 4549/4885

“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.