SCHEMBL533766

SCHEMBL533766

CCCCCCCCCCCCCCCCCCOC1CC(COc2ccc(C=O)cc2)CC(OCCCCCCCCCCCCCCCCCC)C1OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NR5A1 Q13285 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
PLA2G4B P0C869 1/20 0.36
LTA4H P09960 1/20 0.36
RARB P10826 3/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL2016511 0.82 NPC1 (0.42) LMNAALDH1A1HPGDSMN1; SMN2NR5A1
SCHEMBL2018327 0.82 MAOB (0.45) ALDH1A1HPGDPLA2G4BS1PR1
SCHEMBL2022604 0.80 MEN1 (0.36) ALDH1A1S1PR1S1PR3
SCHEMBL2018804 0.79 ALDH1A1 (0.43) ALDH1A1
SCHEMBL533740 0.77 MMP9 (0.38) LMNAALDH1A1NR5A1TP53TSHR
SCHEMBL15908216 0.77 MMP9 (0.38) LMNASMN1; SMN2NR5A1TP53TSHR
SCHEMBL534408 0.77 SLC2A1 (0.40) LMNANR5A1LTA4HS1PR1S1PR3
SCHEMBL15908236 0.77 SLC2A1 (0.40) LMNAMAPTNR5A1TP53LTA4H
SCHEMBL1864244 0.77 ALDH1A1 (0.67) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL1164373 0.77 ALDH1A1 (0.67) LMNAALDH1A1MAPTHPGDSMN1; SMN2

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
US-9670121-B2 Diphenylmethane compound AJINOMOTO CO., INC. (JP) 2017-06-06 US disclosed
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-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-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-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
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
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 LMNA 300/4885ALDH1A1 4415/4885MAPT 2742/4885
US-20140213761-A1 DIPHENYLMETHANE COMPOUND CCKAR, VIP, CCKBR LMNA 310/4885ALDH1A1 4293/4885MAPT 1694/4885
US-20160060198-A1 DIPHENYLMETHANE COMPOUND CCKAR, VIP, CCKBR LMNA 310/4885ALDH1A1 4293/4885MAPT 1694/4885

“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.