SCHEMBL2142137

SCHEMBL2142137

CCCCO[Ti](CCCN)(OCCCC)OCCCC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX1 P07099 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
CYP3A4 P08684 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
GABBR2 O75899 1/20 0.30
GABRR1 P24046 1/20 0.30
GABBR1 Q9UBS5 1/20 0.30

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
SCHEMBL2142720 0.88 DNM1 (0.36) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL3847063 0.85 ADRB2 (0.39) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL5072109 0.82 DNM1 (0.40) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL483477 0.78 DNM1 (0.33) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL18789392 0.76 THRB (0.40) TSHRMEN1KMT2ACA1CA2
SCHEMBL5072153 0.73
SCHEMBL2140022 0.72 OPRM1 (0.46) ADRB2ADRB1ADRB3
SCHEMBL5070092 0.71 DNM1 (0.38) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL18528716 0.70 DNM1 (0.42) DNM1TSHRMEN1KMT2AALDH1A1
Butylamine SCHEMBL3495997 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796411-B2 Polyimide precursor composition, polyimide film, and transparent flexible film HITACHI CHEMICAL DUPONT MICROSYSTEMS, LTD. (JP) 2014-08-05 US disclosed
US-8257611-B2 Optical film and retardation sheet, and liquid crystal compound FUJIFILM CORPORATION (JP) 2012-09-04 US disclosed
US-20110059305-A1 POLYIMIDE PRECURSOR COMPOSITION, POLYIMIDE FILM, AND TRANSPARENT FLEXIBLE FILM HITACHI CHEMICAL DUPONT MICROSYSTEMS, LTD. (JP) 2011-03-10 US disclosed
EP-2248843-A1 POLYIMIDE PRECURSOR COMPOSITION, POLYIMIDE FILM AND TRANSPARENT FLEXIBLE FILM Hitachi Chemical DuPont Microsystems, Ltd. (JP) 2010-11-10 EP disclosed
US-20100045901-A1 OPTICAL FILM AND RETARDATION SHEET, AND LIQUID CRYSTAL COMPOUND FUJIFILM CORPORATION (JP) 2010-02-25 US disclosed
WO-2008072794-A1 OPTICAL FILM AND RETARDATION SHEET, AND LIQUID CRYSTAL COMPOUND FUJIFILM CORPORATION (JP) 2008-06-19 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 (1 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-20100045901-A1 OPTICAL FILM AND RETARDATION SHEET, AND LIQUID CRYSTAL COMPOUND C1R, CCNA1, C5 DNM1 1602/4885TSHR 729/4885MEN1 788/4885

“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.