SCHEMBL425311

SCHEMBL425311

CC1(c2ccccc2)CC(=O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2C9 P11712 1/20 0.45
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
BACE1 P56817 2/20 0.42
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37

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
SCHEMBL9815309 0.91 MEN1 (0.42) MEN1KMT2ACYP2C9MMP2MMP9
SCHEMBL11473105 0.86 ALDH1A1 (0.39) MEN1KMT2ACYP2C9MMP2MMP9
SCHEMBL12540446 0.83 MEN1 (0.53) MEN1KMT2ACYP2C9MMP2MMP9
SCHEMBL12540448 0.83 MEN1 (0.53) MEN1KMT2ACYP2C9MMP2MMP9
SCHEMBL5857767 0.82 MMP2 (0.41) MEN1KMT2ACYP2C9MMP2MMP9
SCHEMBL3537430 0.80 MEN1 (0.46) MEN1KMT2ACYP2C9MMP2MMP9
SCHEMBL29146121 0.80 MEN1 (0.46) MEN1KMT2ACYP2C9MMP2MMP9
SCHEMBL5678994 0.78 HDAC9 (0.42) MMP2MMP9OPRM1OPRK1OPRL1
SCHEMBL7810392 0.77 MEN1 (0.63) MEN1KMT2ACYP2C9MMP2MMP9
SCHEMBL9250653 0.77 ALDH1A1 (0.42) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016148145-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUND 大正製薬株式会社 2016-09-22 WO disclosed
US-8853426-B2 Method for manufacturing ester NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-10-07 US disclosed
US-8853426-B2 Method for manufacturing ester NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-10-07 US disclosed
US-20130217898-A1 METHOD FOR MANUFACTURING ESTER NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2013-08-22 US disclosed
US-20130217898-A1 METHOD FOR MANUFACTURING ESTER NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2013-08-22 US disclosed
EP-2481735-A1 Substituted heterocyclic derivatives and compositions and their pharmaceutical use as antibacterials Pfizer Inc. (US) 2012-08-01 EP disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
WO-2008139288-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND COMPOSITIONS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS PFIZER INC. (US) 2008-11-20 WO disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 US disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 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 (4 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-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 MEN1 540/4885KMT2A 4414/4885CYP2C9 14/4885
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 MEN1 540/4885KMT2A 4414/4885CYP2C9 14/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 MEN1 540/4885KMT2A 4414/4885CYP2C9 14/4885
US-20130217898-A1 METHOD FOR MANUFACTURING ESTER CBR3, BCKDK, ACSL4 MEN1 2180/4885KMT2A 2453/4885CYP2C9 1422/4885

“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.