SCHEMBL129673

SCHEMBL129673

CC(C)Oc1cc(Br)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.49
ALOX15 P16050 4/20 0.47
ALOX12 P18054 2/20 0.47
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HRH4 Q9H3N8 1/20 0.40
HPGD P15428 3/20 0.39
CES2 O00748 1/20 0.39
GALR3 O60755 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL131870 0.80 ALDH1A1 (0.46) ALOX12MAPTSMN1; SMN2LMNAHTT
SCHEMBL7726674 0.79 MAOB (0.59) ALOX15LMNAHTTALDH1A1CYP2C9
SCHEMBL9647072 0.78 PARP10 (0.50) ALDH1A1POLBCES2CYP1A2CYP2C19
SCHEMBL13963701 0.78 PDE10A (0.48) ALOX15ALOX12MAPTHTTALDH1A1
SCHEMBL28146640 0.78 TRPA1 (0.48) ALOX15ALOX12MAPTLMNAALDH1A1
SCHEMBL74689 0.77 MAOB (0.61) ALOX15ALOX12HTTALDH1A1HPGD
SCHEMBL29744489 0.77 MAOB (0.61) ALOX15ALOX12HTTALDH1A1HPGD
SCHEMBL30688242 0.76 ALOX15 (0.66) ALOX15ALOX12MAPTSMN1; SMN2LMNA
SCHEMBL347489 0.76 ALOX15 (0.66) ALOX15ALOX12MAPTSMN1; SMN2LMNA
SCHEMBL17744335 0.76 HSD17B10 (0.45) ALOX15ALOX12MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
WO-2013016720-A2 NOVEL SUBSTITUTED BIARYLHETEROCYCLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES GERINDA THERAPEUTICS, INC. (US) 2013-01-31 WO disclosed
WO-2013016720-A2 NOVEL SUBSTITUTED BIARYLHETEROCYCLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES GERINDA THERAPEUTICS, INC. (US) 2013-01-31 WO disclosed
CN-101374844-B Pyrrolopyridazinone compound UBE INDUSTRIES 2012-10-24 CN disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
CN-101233129-A Substituted biaryl heterocyclic derivatives as protein kinase inhibitors for the treatment of cancer and other diseases PFAHL FAMILY TRUST (US) 2008-07-30 CN disclosed
EP-1896462-A2 SUBSTITUTED BIARYLHETEROCYCLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES The Pfahl Family Trust (Dated 9 July 1996) (US) 2008-03-12 EP disclosed
WO-2006130613-A2 SUBSTITUTED BIARYLHETEROCYCLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES THE PFAHL FAMILY TRUST (DATED 9 JULY 1996) (US) 2006-12-07 WO disclosed
US-20060074102-A1 Kinase inhibitors as therapeutic agents ABBOTT LABORATORIES 2006-04-06 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 (2 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-20060074102-A1 Kinase inhibitors as therapeutic agents ABL1, MAP3K19, MAP3K20 AR 1474/4885ALOX15 4734/4885ALOX12 4791/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 AR 1994/4885ALOX15 81/4885ALOX12 63/4885

“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.