SCHEMBL7138992

SCHEMBL7138992

CC(C)(C)c1cccc2c1OCCC2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
PARP1 P09874 1/20 0.38
NR3C1 P04150 4/20 0.37
CA2 P00918 1/20 0.36
PGR P06401 3/20 0.36
NR3C2 P08235 3/20 0.36
HTR1A P08908 3/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TSHR P16473 2/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALOX12 P18054 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
SCHEMBL4612499 0.89 PARP1 (0.47) TDP1PARP1NR3C1CA2PGR
SCHEMBL14070892 0.82 CTNNB1 (0.40) PARP1NR3C1PGRNR3C2HTR1A
SCHEMBL12869360 0.76 CA2 (0.38) TDP1ATMCA2HTR1AGABRA1
SCHEMBL24126748 0.76 ATM (0.35) TDP1ATM
SCHEMBL435085 0.76 PARP1 (0.41) PARP1HTR1ATSHRALDH1A1ALOX12
SCHEMBL6554491 0.75 PARP1 (0.49) PARP1NR3C1CA2PGRNR3C2
SCHEMBL24243099 0.75 SSTR4 (0.51)
SCHEMBL19810406 0.74 PTGS1 (0.42) TDP1ATMNR3C1CA2PGR
SCHEMBL12505563 0.72 NR3C1 (0.48) PARP1NR3C1PGRNR3C2PTGS1
SCHEMBL12572001 0.72 PTGS1 (0.41) TDP1ATMNR3C1PGRNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
US-20150005329-A1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-01 US disclosed
US-8916557-B2 Substituted 4-Aryl-N-phenyl-1,3,5-triazin-2-amines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-23 US disclosed
US-20140315906-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-23 US disclosed
US-20140303151-A9 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-10-09 US disclosed
US-20140228387-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-14 US disclosed
US-20140045852-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-13 US disclosed
US-20140045825-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-02-13 US disclosed
WO-2013096226-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-06-27 WO disclosed
EP-0907646-B1 DIHYDROBENZOPYRAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2003-05-21 EP disclosed
US-6110960-A FOR TREATING ARTHRITIS AND AS ANALGESIC THE PROCTER & GAMBLE COMPANY (US) 2000-08-29 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 (13 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-20140045852-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES PAH, NAT1, H1-5 TDP1 419/4885ATM 2189/4885PARP1 358/4885
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF TDP1 558/4885ATM 654/4885PARP1 856/4885
US-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP TDP1 1034/4885ATM 2805/4885PARP1 2910/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP TDP1 1309/4885ATM 2897/4885PARP1 2550/4885
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP TDP1 1064/4885ATM 3140/4885PARP1 3014/4885
US-20140303151-A9 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 TDP1 1688/4885ATM 975/4885PARP1 1685/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 TDP1 2395/4885ATM 2237/4885PARP1 1100/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP TDP1 1034/4885ATM 2805/4885PARP1 2910/4885
US-20140315906-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP PAH, NAT1, SULT2A1 TDP1 815/4885ATM 2490/4885PARP1 657/4885
US-20140045825-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 TDP1 1688/4885ATM 975/4885PARP1 1685/4885
US-20140228387-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES DPYD, DHFR, TYMP TDP1 166/4885ATM 3062/4885PARP1 351/4885
US-20150005329-A1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP DHFR, DPYD, TYMP TDP1 609/4885ATM 3058/4885PARP1 654/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP TDP1 1034/4885ATM 2805/4885PARP1 2910/4885

“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.