SCHEMBL4364007

SCHEMBL4364007

CCC=Cc1cccc(Br)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A19 Q695T7 1/20 0.53
HSD17B3 P37058 1/20 0.52
ALDH1A1 P00352 4/20 0.50
CHRNA7 P36544 1/20 0.46
BACE1 P56817 1/20 0.45
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
PKM P14618 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
HSD11B1 P28845 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP1B1 Q16678 1/20 0.41
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 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
SCHEMBL256054 1.00 SLC6A19 (0.53) SLC6A19HSD17B3ALDH1A1CHRNA7BACE1
SCHEMBL14416285 1.00 SLC6A19 (0.53) SLC6A19HSD17B3ALDH1A1CHRNA7BACE1
SCHEMBL31149192 0.85 NFE2L2 (0.41)
SCHEMBL8955895 0.82 SLC6A19 (0.48) SLC6A19HSD17B3ALDH1A1CHRNA7BACE1
SCHEMBL8955891 0.82 SLC6A19 (0.48) SLC6A19HSD17B3ALDH1A1CHRNA7BACE1
SCHEMBL12175516 0.82 HSD17B3 (0.53) SLC6A19HSD17B3ALDH1A1CHRNA7BACE1
SCHEMBL16618643 0.81 ALDH1A1 (0.61) SLC6A19HSD17B3ALDH1A1CHRNA7BACE1
SCHEMBL27696264 0.80 SLC6A19 (0.50) SLC6A19HSD17B3ALDH1A1CHRNA7BACE1
SCHEMBL709614 0.80 HSD17B3 (0.65) SLC6A19HSD17B3ALDH1A1CHRNA7BACE1
SCHEMBL699462 0.80 HSD17B3 (0.65) SLC6A19HSD17B3ALDH1A1CHRNA7BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758445-B2 Preparation of surfactants via cross-metathesis MATERIA, INC. (US) 2017-09-12 US disclosed
US-9676720-B2 Substituted biaryl compound UBE INDUSTRIES, LTD. (JP) 2017-06-13 US disclosed
US-9663459-B2 Preparation of surfactants via cross-metathesis MATERIA, INC. (US) 2017-05-30 US disclosed
US-20160186094-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. 2016-06-30 US disclosed
US-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. 2016-05-26 US disclosed
US-20160060221-A1 SUBSTITUTED BIARYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2016-03-03 US disclosed
EP-2980075-A1 SUBSTITUTED BIARYL COMPOUND UBE Industries, Ltd. (JP) 2016-02-03 EP disclosed
US-8242280-B2 morpholin-4-yl-{3-[3-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl-phenyl}-methanone; FMS-like tyrosine kinase 3 (FLT3), is implicated in cancers, including leukemia, such as acute myeloid leukemia (AML), acute lymphoblastic leukemia (ALL), and myelodysplasia SGX PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
EP-2078020-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-07-15 EP disclosed
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
WO-2008124848-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
EP-0350069-B1 METHOD FOR OXIDIZING UNSATURATED AROMATIC COMPOUNDS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1993-03-17 EP disclosed
US-4967009-A REACTING UNSATURATED AROMATIC COMPOUNDS WITH AROMATIC IODOSYL COMPOUNDS TO YIELD AROMATIC ALDEHYDES OR KETONES NIPPON PETROCHEMICALS CO., LTD. (JP) 1990-10-30 US disclosed
EP-0350069-A2 Method for oxidizing unsaturated aromatic compounds NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-01-10 EP 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 (4 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-20160186094-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, EPHX2, SMURF1 SLC6A19 4202/4885HSD17B3 1568/4885ALDH1A1 1887/4885
US-20160060221-A1 SUBSTITUTED BIARYL COMPOUND FIBP, FGF2, FGFR2 SLC6A19 2126/4885HSD17B3 1086/4885ALDH1A1 970/4885
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, MAP3K19, MAP4K2 SLC6A19 4670/4885HSD17B3 2878/4885ALDH1A1 4191/4885
US-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, SMURF1, ABCB4 SLC6A19 3922/4885HSD17B3 2639/4885ALDH1A1 3135/4885

“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.