SCHEMBL4612499

SCHEMBL4612499

CC(C)(C)c1cccc2c1OCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
NR3C1 P04150 5/20 0.43
PGR P06401 4/20 0.42
NR3C2 P08235 4/20 0.42
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
CA2 P00918 1/20 0.39
AR P10275 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALOX5 P09917 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL7138992 0.89 TDP1 (0.39) PARP1NR3C1PGRNR3C2PTGS1
SCHEMBL6554491 0.85 PARP1 (0.49) PARP1NR3C1PGRNR3C2PTGS1
SCHEMBL12505563 0.82 NR3C1 (0.48) PARP1NR3C1PGRNR3C2PTGS1
SCHEMBL30862506 0.81 PARP1 (0.47) PARP1NR3C1PGRNR3C2AR
SCHEMBL24650991 0.78 NR3C1 (0.41) PARP1NR3C1PGRNR3C2PTGS1
SCHEMBL24243099 0.78 SSTR4 (0.51)
SCHEMBL5516442 0.77 NR3C1 (0.47) PARP1NR3C1PGRNR3C2PTGS1
SCHEMBL20852602 0.77 NR3C1 (0.40) PARP1NR3C1PGRNR3C2PTGS1
SCHEMBL3366028 0.77 PARP1 (0.47) PARP1NR3C1PGRNR3C2AR
SCHEMBL5520778 0.76 NR3C1 (0.49) PARP1NR3C1PGRNR3C2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820770-B2 P2X7 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-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20230203059-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF BIOPOLAR HONGYE (NANTONG) PHARMACEUTICAL CO. LTD. (CN) 2023-06-29 US disclosed
US-20230203059-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF BIOPOLAR HONGYE (NANTONG) PHARMACEUTICAL CO. LTD. (CN) 2023-06-29 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-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-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
EP-0891346-B1 DIHYDROBENZOFURAN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2004-05-12 EP disclosed
EP-0891346-A1 DIHYDROBENZOFURAN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1999-01-20 EP disclosed
US-5674891-A ANALGESICS WITH SIDE EFFECT REDUCTION THE PROCTER & GAMBLE COMPANY (US) 1997-10-07 US disclosed
US-5672620-A ANALGESICS, ANTIARTHRITIC AGENT THE PROCTER & GAMBLE COMPANY (US) 1997-09-30 US disclosed
US-5656661-A ANALGESICS THE PROCTER & GAMBLE COMPANY (US) 1997-08-12 US disclosed
WO-1997028148-A1 DIHYDROBENZOFURAN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-08-07 WO disclosed
EP-0773939-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-05-21 EP disclosed
WO-1996003396-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1996-02-08 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 (8 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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF PARP1 856/4885NR3C1 3566/4885PGR 2033/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PARP1 2910/4885NR3C1 1044/4885PGR 846/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 PARP1 3996/4885NR3C1 3035/4885PGR 3580/4885
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS PARP1 765/4885NR3C1 2332/4885PGR 3289/4885
US-20230203059-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF JAK3, JAK2, JAK1 PARP1 1815/4885NR3C1 2112/4885PGR 1761/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A PARP1 794/4885NR3C1 2737/4885PGR 3285/4885
US-11820770-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 PARP1 2827/4885NR3C1 1889/4885PGR 1170/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP PARP1 2910/4885NR3C1 1044/4885PGR 846/4885

“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.