SCHEMBL907605

SCHEMBL907605

BOC(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
MIF P14174 2/20 0.41
TAAR1 Q96RJ0 3/20 0.41
LMNA P02545 2/20 0.41
ADRA2A P08913 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA2B P18089 1/20 0.40
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NOS2 P35228 1/20 0.39
ALDH1A1 P00352 1/20 0.38
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL464725 0.78 HCAR2 (0.45) HCAR2MIFTAAR1LMNAADRA2A
SCHEMBL198133 0.78 HCAR2 (0.45) HCAR2MIFTAAR1LMNAADRA2A
Ammonia Solution, Strong SCHEMBL27871924 0.76 HCAR2 (0.44) HCAR2MIFTAAR1LMNAADRA2A
SCHEMBL12280720 0.76 THRB (0.45) HCAR2TAAR1LMNAADRA2AADRA2C
SCHEMBL57510 0.76 THRB (0.45) HCAR2TAAR1LMNAADRA2AADRA2C
Hydrochloric Acid SCHEMBL28273439 0.76 ALDH1A1 (0.44) HCAR2TAAR1LMNAADRA2AADRA2C
SCHEMBL5442572 0.76 HCAR2 (0.44) HCAR2MIFTAAR1LMNAADRA2A
SCHEMBL2737141 0.76 THRB (0.45) HCAR2TAAR1LMNAADRA2AADRA2C
Phosphine SCHEMBL20897413 0.76 CYP2D6 (0.46) HCAR2TAAR1LMNAADRA2AADRA2C
SCHEMBL2330109 0.75 HCAR2 (0.40) HCAR2MIFTAAR1LMNAADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217870-A1 Highly Robust Efficient Catalyst For Selective Dehydrogenation Of Neat Glycerol To Lactic Acid UNIVERSITY OF SOUTHERN CALIFORNIA 2017-08-03 US disclosed
US-8450442-B2 Borosiloxane composition, borosiloxane adhesive, coated and laminated substrates DOW CORNING CORPORATION (US) 2013-05-28 US disclosed
US-20110021736-A1 Polyborosiloxane and Method of Preparing Same DOW CORNING CORPORATION 2011-01-27 US disclosed
US-20100316876-A1 Borosiloxane Composition, Borosiloxane Adhesive, Coated and Laminated Substrates DOW CORNING CORPORATION 2010-12-16 US disclosed
EP-2254933-A1 POLYBOROSILOXANE AND METHOD OF PREPARING SAME Dow Corning Corporation (US) 2010-12-01 EP disclosed
EP-2254934-A1 BOROSILOXANE COMPOSITION, BOROSILOXANE ADHESIVE, COATED AND LAMINATED SUBSTRATES Dow Corning Corporation (US) 2010-12-01 EP disclosed
WO-2009111193-A1 BOROSILOXANE COMPOSITION, BOROSILOXANE ADHESIVE, COATED AND LAMINATED SUBSTRATES DOW CORNING CORPORATION (US) 2009-09-11 WO disclosed
WO-2009111191-A1 POLYBOROSILOXANE AND METHOD OF PREPARING SAME DOW CORNING CORPORATION (US) 2009-09-11 WO disclosed
US-5852221-A Optically active β-aminoalkoxyborane complex NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-12-22 US disclosed
US-5808098-A REDUCING AGENT FROM AMINOALCOHOL NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-09-15 US disclosed
US-5786485-A REACTING OPTICALLY ACTIVE BETA-AMINOALCOHOL WITH BORANE REAGENT TO PRODUCE OPTICALLY ACTIVE BETA-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-07-28 US disclosed
US-5739347-A REDUCING AGENTS FOR DECARBONYLATION NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-04-14 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 (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-20170217870-A1 Highly Robust Efficient Catalyst For Selective Dehydrogenation Of Neat Glycerol To Lactic Acid LDHA, LDHB, ADH1C HCAR2 88/4885MIF 961/4885TAAR1 896/4885

“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.