SCHEMBL9979716

SCHEMBL9979716

CCOC(=O)c1cc(C(C)(C)C)n(-c2ccc(C)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.61
CNR2 P34972 7/20 0.61
MAPT P10636 3/20 0.56
CA9 Q16790 2/20 0.56
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRNA7 P36544 1/20 0.46

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
SCHEMBL28820555 0.90 CNR1 (0.61) CNR1CNR2MAPTCA9ALDH1A1
SCHEMBL31377474 0.90 ALDH1A1 (0.68) CNR1CNR2MAPTCA9ALDH1A1
SCHEMBL1107579 0.87 CA9 (0.53) CNR1CNR2MAPTCA9ALDH1A1
SCHEMBL4501553 0.82 ALDH1A1 (0.51) CNR1CNR2MAPTALDH1A1KMT2A
SCHEMBL18358806 0.81 CNR1 (0.45) CNR1CNR2MAPTCA9ALDH1A1
SCHEMBL18358772 0.81 CNR1 (0.45) CNR1CNR2MAPTCA9ALDH1A1
SCHEMBL14357202 0.81 CA9 (0.61) MAPTCA9ALDH1A1KMT2AGAA
SCHEMBL21628356 0.81 MAPT (0.58) MAPTCA9ALDH1A1KMT2AGAA
Hydrochloric Acid SCHEMBL2032618 0.79 ABL1 (0.44) CNR1CNR2MAPTCA9ALDH1A1
SCHEMBL1517048 0.77 ALDH1A1 (0.59) MAPTCA9ALDH1A1KMT2AGAA

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
US-20140038923-A1 PYRAZOLE INHIBITORS OF COX-2 AND SEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-06 US disclosed
US-20140038923-A1 PYRAZOLE INHIBITORS OF COX-2 AND SEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-06 US disclosed
WO-2012082647-A2 PYRAZOLE INHIBITORS OF COX-2 AND sEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-21 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-20140038923-A1 PYRAZOLE INHIBITORS OF COX-2 AND SEH PTGES2, PTGS2, PTGES3 CNR1 552/4885CNR2 158/4885MAPT 3652/4885

“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.