SCHEMBL15418336

SCHEMBL15418336

CC(C)Oc1cc[nH]n1.O=C(Cl)Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
PARP10 Q53GL7 1/20 0.34
ALDH1A1 P00352 5/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
POLB P06746 1/20 0.33
PPARG P37231 1/20 0.32
BTK Q06187 1/20 0.32
GLA P06280 1/20 0.32
KDM5A P29375 1/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
ACACB O00763 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
LMNA P02545 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
SCHEMBL3337826 0.88
SCHEMBL28085155 0.73 TP53 (0.34) KMT2ATP53
SCHEMBL27949468 0.73 CA12 (0.34) KMT2AALDH1A1PPARGLMNATP53
SCHEMBL6970368 0.72
SCHEMBL19121290 0.72 HPGD (0.30)
SCHEMBL6654827 0.69 KDM4E (0.38) KMT2AALDH1A1LMNAMAPK1
SCHEMBL17647210 0.69 GABRP (0.41)
SCHEMBL23674569 0.69
SCHEMBL5838870 0.69 GRIN2D (0.33) LMNA
SCHEMBL4275360 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103547571-A Method for producing pyrazolecarboxylic acid derivative SHIONOGI & CO 2014-01-29 CN disclosed
EP-2687515-A1 METHOD FOR PRODUCING PYRAZOLECARBOXYLIC ACID DERIVATIVE Shionogi & Co., Ltd. (JP) 2014-01-22 EP disclosed
US-20140012013-A1 METHOD FOR PRODUCING PYRAZOLE CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 2014-01-09 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-20140012013-A1 METHOD FOR PRODUCING PYRAZOLE CARBOXYLIC ACID DERIVATIVE HSD11B1, HSD11B2, HSD17B1 KMT2A 3174/4885PARP10 2598/4885ALDH1A1 115/4885

“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.