SCHEMBL6357892

SCHEMBL6357892

BrCCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
FFAR1 O14842 2/20 0.48
DAO P14920 1/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOB P27338 1/20 0.47
FDFT1 P37268 5/20 0.47
FFAR4 Q5NUL3 1/20 0.47
LTA4H P09960 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46

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
SCHEMBL9331970 0.89 FDFT1 (0.51) FFAR1DAOFDFT1
Phosphine SCHEMBL9804296 0.87 FDFT1 (0.50) FFAR1DAOFDFT1
SCHEMBL5304024 0.86 FDFT1 (0.50) TDP1FFAR1KDM4EALDH1A1HTT
SCHEMBL202774 0.84 ALDH1A1 (0.54) TDP1TSHRHSD17B10KDM4EALDH1A1
Bromide SCHEMBL11317156 0.82 ALDH1A1 (0.53) TDP1FFAR1TSHRHSD17B10KDM4E
SCHEMBL4452025 0.82 FDFT1 (0.50) TDP1ALDH1A1FDFT1
SCHEMBL7456192 0.82 TDP1 (0.62) TDP1FFAR1TSHRFFAR4LTA4H
SCHEMBL27733468 0.81 CYP4F2 (0.70) FFAR1MAOBCYP4F2CYP4A11
SCHEMBL11253218 0.81 FFAR1 (0.48) TDP1FFAR1DAOTSHRHSD17B10
SCHEMBL1696397 0.81 KDM4E (0.55) TDP1FFAR1DAOTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050101783-A1 N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide KUREHA CORPORATION (JP) 2005-05-12 US disclosed
EP-1391450-A1 N-(HETEROCYCLE-METHYL)ALKYLAMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND BACTERICIDE Kureha Chemical Industry Co., Ltd. (JP) 2004-02-25 EP disclosed
WO-2000035849-A1 PALLADIUM CATALYZED CARBONYLATION PROCESS ALBEMARLE CORPORATION (US) 2000-06-22 WO disclosed
US-4308208-A α-Methylthio-α-(p-phthalimidophenyl)-propionic acid SAGAMI CHEMICAL RESEARCH CENTER (JP) 1981-12-29 US disclosed
US-4278802-A METHYLTHIO-/P-/2-THIENYLCARBONYL/PHENYL/PROPIONIC ACID OR ESTER, PHARMACEUTICAL INTERMEDIATES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1981-07-14 US disclosed
US-4242519-A DRUG INTERMEDIATES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1980-12-30 US disclosed
US-4237298-A Aromatic acetic acid derivatives having sulfur atom at alpha-position and process for their preparation SAGAMI CHEMICAL RESEARCH CENTER (JP) 1980-12-02 US disclosed
US-4144248-A Aromatic acetic acid derivatives having sulfur atom at alpha-position and process for their preparation SAGAMI CHEMICAL RESEARCH CENTER (JP) 1979-03-13 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-20050101783-A1 N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide HBZ, ACMSD, HDHD5 TDP1 3730/4885FFAR1 2675/4885DAO 139/4885

“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.