SCHEMBL13439792

SCHEMBL13439792

COc1ccc(COc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 8/20 0.72
▸ NR4A2 P43354 1/20 0.64
▸ RXRA P19793 1/20 0.64
▸ RXRB P28702 1/20 0.64
▸ MAOB P27338 1/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ TP53 P04637 1/20 0.53
▸ FFAR1 O14842 1/20 0.53

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
SCHEMBL22275947 0.92 APP (0.82) APPNR4A2RXRARXRBMAOB
SCHEMBL21098984 0.87 APP (0.60) APPNR4A2RXRARXRBMAOB
SCHEMBL1702727 0.87 APP (0.74) APPNR4A2RXRARXRBMAOB
SCHEMBL20000873 0.86 APP (0.80) APPMAOBSMN1; SMN2NPC1POLB
SCHEMBL29303965 0.86 APP (0.58) APPNR4A2RXRARXRBMAOB
SCHEMBL13761551 0.85 APP (0.72) APPNR4A2RXRARXRBMAOB
SCHEMBL13929695 0.85 APP (0.72) APPNR4A2RXRARXRBMAOB
SCHEMBL13930958 0.84 APP (0.57) APPNR4A2RXRARXRBMAOB
SCHEMBL23266730 0.84 MAOB (0.70) APPNR4A2RXRARXRBMAOB
SCHEMBL18164596 0.84 MAOB (0.70) APPMAOBSMN1; SMN2NPC1POLB

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 — — US disclosed
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 — — US disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 — — US disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 — — US disclosed
US-20090231979-A1 OPTICAL RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA 2009-09-17 — — US disclosed
US-20090231979-A1 OPTICAL RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA 2009-09-17 — — US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 — — US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 — — US disclosed
US-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof TEIJIN PHARMA LIMITED (JP) 2009-02-26 — — US disclosed
US-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof TEIJIN PHARMA LIMITED (JP) 2009-02-26 — — US disclosed
US-7473694-B2 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2009-01-06 — — US disclosed
US-7473694-B2 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2009-01-06 — — US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 — — US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 — — US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 — — US disclosed
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-07-26 — — US disclosed
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-07-26 — — 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-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 APP 2712/4885NR4A2 2405/4885RXRA 3544/4885
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 APP 3308/4885NR4A2 1531/4885RXRA 1650/4885
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 APP 2712/4885NR4A2 2405/4885RXRA 3544/4885
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME CACNA1I, CACNA1B, CACNA1C APP 2607/4885NR4A2 3351/4885RXRA 4348/4885

“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.

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