SCHEMBL533892

SCHEMBL533892

CCCCCCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCOC1(OCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCCCCCC)C=CC(C(=O)c2ccccc2)=CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 2/20 0.35
NAAA Q02083 1/20 0.35
KCNH2 Q12809 1/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
PLA2G4B P0C869 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL28480637 0.97 TSHR (0.38) TSHRCES2CES1LMNAALDH1A1
SCHEMBL5433594 0.84 TSHR (0.37) TSHRCES2CES1LMNAALDH1A1
SCHEMBL14957998 0.84 TSHR (0.37) TSHRCES2CES1LMNAALDH1A1
Hexane SCHEMBL27462417 0.77 CES2 (0.41) CES2CES1ALDH1A1NAAAKCNH2
SCHEMBL27698253 0.77 CES2 (0.39) CES2CES1ALDH1A1NAAAKCNH2
SCHEMBL533755 0.76 SMN1; SMN2 (0.37) TSHRLMNAALDH1A1NAAA
SCHEMBL210845 0.75 ALDH1A1 (0.38) TSHRLMNAALDH1A1TP53CYP3A4
SCHEMBL9403662 0.73 PTPN11 (0.49) TSHRLMNAALDH1A1TP53CYP3A4
SCHEMBL9779801 0.73 ELANE (0.41) TSHRCES2CES1ALDH1A1KCNH2
SCHEMBL1533766 0.73 THRB (0.39) TSHRLMNAALDH1A1TP53CYP3A4

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 7 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
US-8722934-B2 Diphenylmethane compound AJINOMOTO CO., INC. (JP) 2014-05-13 US disclosed
EP-2415745-A1 DIPHENYLMETHANE COMPOUND Ajinomoto Co., Inc. (JP) 2012-02-08 EP disclosed
US-20100249374-A1 DIPHENYLMETHANE COMPOUND AJINOMOTO CO., INC. (JP) 2010-09-30 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-20100249374-A1 DIPHENYLMETHANE COMPOUND CCKAR, DNPEP, QPCTL TSHR 2188/4885CES2 2987/4885CES1 2222/4885
US-20140213761-A1 DIPHENYLMETHANE COMPOUND CCKAR, VIP, CCKBR TSHR 1541/4885CES2 3475/4885CES1 2640/4885
US-20160060198-A1 DIPHENYLMETHANE COMPOUND CCKAR, VIP, CCKBR TSHR 1541/4885CES2 3475/4885CES1 2640/4885

“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.