SCHEMBL15908217

SCHEMBL15908217

CCCCCCCCCCCCCCCCCCOc1c(C)ccc(C(=O)c2ccccc2)c1OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.53
CCNE2 O96020 2/20 0.53
CDK1 P06493 2/20 0.53
CCNB1 P14635 2/20 0.53
CCNE1 P24864 2/20 0.53
CDK2 P24941 2/20 0.53
CCNB3 Q8WWL7 2/20 0.53
CES2 O00748 3/20 0.49
CES1 P23141 3/20 0.49
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 2/20 0.45
MEN1 O00255 1/20 0.45
NR1I2 O75469 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
MAPT P10636 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL28048336 0.88 CCNB2 (0.46) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL28520349 0.87 CCNB2 (0.45) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL533850 0.86 CCNB2 (0.53) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL28517696 0.82 CCNE2 (0.42) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL4479542 0.81 LMNA (0.58) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL295133 0.81 CCNB2 (0.53) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL28129641 0.81 CCNB2 (0.53) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL5154293 0.81 CCNB2 (0.53) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL5163358 0.81 CNR1 (0.50) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL28488245 0.80 CCNB2 (0.52) CCNB2CCNE2CDK1CCNB1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670121-B2 Diphenylmethane compound AJINOMOTO CO., INC. (JP) 2017-06-06 US disclosed
US-20160060198-A1 DIPHENYLMETHANE COMPOUND AJINOMOTO CO., INC. (JP) 2016-03-03 US disclosed
US-9169187-B2 Method of making peptides using diphenylmethane compound AJINOMOTO CO., INC. (JP) 2015-10-27 US disclosed
US-20140213761-A1 DIPHENYLMETHANE COMPOUND AJINOMOTO CO., INC (JP) 2014-07-31 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-20140213761-A1 DIPHENYLMETHANE COMPOUND CCKAR, VIP, CCKBR CCNB2 755/4885CCNE2 894/4885CDK1 499/4885
US-20160060198-A1 DIPHENYLMETHANE COMPOUND CCKAR, VIP, CCKBR CCNB2 755/4885CCNE2 894/4885CDK1 499/4885

“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.