Sugi Predict

Sugi Predict / Compounds / SCHEMBL3787312

SCHEMBL3787312

SCHEMBL3787312

CC(=O)OCCCCCCCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1.O=Cc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 2/20 0.50
▸ MAPT P10636 9/20 0.42
▸ HTT P42858 4/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ RECQL P46063 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ LMNA P02545 5/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ MITF O75030 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL3794162 0.77 ALDH1A1 (0.47) MAPTHTTCYP3A4ALDH1A1LMNA
SCHEMBL3784788 0.77 MAPT (0.46) VCAM1MAPTHTTMEN1KMT2A
SCHEMBL3784790 0.77 MAPT (0.46) VCAM1MAPTHTTMEN1KMT2A
SCHEMBL887521 0.76 ALDH1A1 (0.49) CYP3A4ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL64221 0.72 ALDH1A1 (0.50) CYP3A4ALDH1A1LMNAMAPK1L3MBTL1
Bromide SCHEMBL29016324 0.71 ALDH1A1 (0.49) CYP3A4ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL560001 0.71 VCAM1 (1.00) VCAM1MAPTMEN1KMT2ARECQL
SCHEMBL27649890 0.67 ALDH1A1 (0.48) MAPTRECQLALDH1A1LMNASMN1; SMN2
SCHEMBL8153015 0.67 MAPT (0.43) VCAM1MAPTHTTMEN1KMT2A
SCHEMBL1645808 0.67 VCAM1 (0.50) VCAM1MAPTHTTMEN1KMT2A

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-9944725-B2 Polymer comprising a plurality of phenothiazine groups and methods of making the same ASCENSIA DIABETES CARE HOLDINGS AG (CH) 2018-04-17 — — US disclosed
US-20170044276-A1 POLYMER COMPRISING A PLURALITY OF PHENOTHIAZINE GROUPS AND METHODS OF MAKING THE SAME BAYER HEALTHCARE LLC 2017-02-16 — — US disclosed
US-20160083519-A1 Polymer Comprising A Plurality Of Phenothiazine Groups And Methods Of Making The Same ASCENSIA DIABETES CARE HOLDINGS AG (CH) 2016-03-24 — — US disclosed
WO-2010141359-A2 REDOX MOLECULES AND METHODS OF MAKING THE SAME BAYER HEALTHCARE LLC (US) 2010-12-09 — — 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 (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-20160083519-A1 Polymer Comprising A Plurality Of Phenothiazine Groups And Methods Of Making The Same PAH, TYK2, PNMT VCAM1 3321/4885MAPT 178/4885HTT 205/4885
US-20170044276-A1 POLYMER COMPRISING A PLURALITY OF PHENOTHIAZINE GROUPS AND METHODS OF MAKING THE SAME PAH, TYK2, PNMT VCAM1 3321/4885MAPT 178/4885HTT 205/4885

“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.