SCHEMBL12412423

SCHEMBL12412423

CC1(C)COc2ccc(C(C)(C)C)cc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPV1 Q8NER1 6/20 0.32
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL14943764 0.77 HTR2B (0.43) ALDH1A1MAPTHTTTSHRHSD17B10
SCHEMBL12169409 0.76 TSHR (0.58) CYP19A1ALDH1A1LMNAMAPTRECQL
SCHEMBL6569246 0.75 ALDH1A1 (0.37) CYP19A1ALDH1A1LMNAMAPTHSP90AA1
SCHEMBL12024916 0.74 PTGS1 (0.39) CYP19A1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL15919025 0.74 MAPT (0.38) CYP19A1ALDH1A1MAPTRECQLHPGD
SCHEMBL12169410 0.74 NOTUM (0.47) CYP19A1
SCHEMBL84835 0.74 TRPV1 (0.49) MAPTTSHRTRPV1MAPK1SMN1; SMN2
SCHEMBL85405 0.74 ALDH1A1 (0.52) ALDH1A1LMNAMAPTHSP90AA1HTT
SCHEMBL30567467 0.74 ALDH1A1 (0.52) ALDH1A1LMNAMAPTHSP90AA1HTT
SCHEMBL24702404 0.73 TSHR (0.38) CYP19A1ALDH1A1LMNAMAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562019-B2 Substituted pyridazines as EGFR and/or KRAS inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-02-07 US disclosed
US-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DJABALLAH HAKIM (US) 2013-05-23 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-08-19 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 (3 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-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP CYP19A1 309/4885ALDH1A1 761/4885LMNA 1186/4885
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 CYP19A1 2867/4885ALDH1A1 1374/4885LMNA 2814/4885
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP CYP19A1 309/4885ALDH1A1 761/4885LMNA 1186/4885

“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.