SCHEMBL5801905

SCHEMBL5801905

CC1(C)OB(c2ccc(Oc3ccccc3C=O)cc2)OC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
ALDH1A1 P00352 4/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
GAA P10253 2/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
LPL P06858 6/20 0.46
LIPG Q9Y5X9 6/20 0.46
P4HB P07237 1/20 0.41
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL6865570 0.84 LMNA (0.49) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4477463 0.84 LMNA (0.49) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL21994403 0.82 CA1 (0.43) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL25981484 0.80 HTT (0.59) ALDH1A1KMT2ACA1CA2CA9
SCHEMBL4378064 0.78 LPL (0.53) ALDH1A1CA1CA2CA9LPL
SCHEMBL17423585 0.78 LPL (0.50) CA1CA2CA9LPLLIPG
SCHEMBL31599176 0.78 LMNA (0.88) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5899727 0.77 LPL (0.65) CA1CA2CA9LPLLIPG
SCHEMBL5243207 0.77 CA1 (0.61) CA1CA2CA9LPLLIPG
SCHEMBL20818035 0.76 LPL (0.47) CA1CA2CA9LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
EP-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 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 (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-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 LMNA 4664/4885ALDH1A1 99/4885CYP1A2 23/4885

“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.