SCHEMBL11469397

SCHEMBL11469397

COC(=O)Cc1ccc2ccc(C)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
HSP90AB1 P08238 1/20 0.47
CYP2A6 P11509 2/20 0.47
CYP1A2 P05177 1/20 0.47
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
PTGS1 P23219 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL8935104 0.95 ALDH1A1 (0.53) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL21620954 0.86 ALDH1A1 (0.61) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL11467655 0.85 ALDH1A1 (0.53) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL17490667 0.83 HSP90AB1 (0.51) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL2662328 0.83 MEN1 (0.57) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL31170867 0.83 MEN1 (0.57) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL11458930 0.82 GAA (0.50) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL11460900 0.82 PTGS1 (0.69) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL11463930 0.82 ALDH1A1 (0.50) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL8980665 0.81 ALDH1A1 (0.53) ALDH1A1GAAGFERCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1728793-B1 9-SUBSTITUTED 8-OXOADENINE COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2016-02-03 EP disclosed
US-8969362-B2 9-substituted 8-oxoadenine compound ASTRAZENECA AKTIEBOLAG (SE) 2015-03-03 US disclosed
US-20140045837-A1 9-Substituted 8-Oxoadenine Compound ASTRAZENECA AKTIEBOLAG (SE) 2014-02-13 US disclosed
US-4207241-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS AND ANTIPRURITIC AGENTS SYNTEX CORPORATION (US) 1980-06-10 US disclosed
US-4097674-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTIPRURITIC AGENTS, ANALGESICS SYNTEX CORPORATION (US) 1978-06-27 US disclosed
US-4051233-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1977-09-27 US disclosed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 US disclosed
US-3980699-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-09-14 US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 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 (1 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-20140045837-A1 9-Substituted 8-Oxoadenine Compound IFNAR1, IL5, IFNG ALDH1A1 3447/4885GAA 2331/4885GFER 2697/4885

“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.