SCHEMBL4412918

SCHEMBL4412918

Fc1ccc(Oc2cccc(CCl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.46
MPO P05164 1/20 0.45
LTA4H P09960 1/20 0.43
EPHX2 P34913 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CETP P11597 1/20 0.42
TTR P02766 1/20 0.41
MITF O75030 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
NLRP1 Q9C000 1/20 0.41
NOD2 Q9HC29 1/20 0.41
CACNA1B Q00975 1/20 0.41

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
SCHEMBL10908230 0.87 FDFT1 (0.45) FDFT1CETPTTRPPARGPPARA
SCHEMBL18422515 0.87 TTR (0.46) ALDH1A1SMN1; SMN2HTTKDM4ETTR
SCHEMBL30132325 0.85 TTR (0.54) FDFT1LTA4HALDH1A1SMN1; SMN2HTT
SCHEMBL81395 0.85 TTR (0.54) FDFT1LTA4HALDH1A1SMN1; SMN2HTT
SCHEMBL11318601 0.84 ALDH1A1 (0.56) FDFT1ALDH1A1SMN1; SMN2HTTKDM4E
Fluoride SCHEMBL27414212 0.83 TTR (0.53) FDFT1LTA4HALDH1A1SMN1; SMN2HTT
SCHEMBL2351004 0.82 LTA4H (0.53) FDFT1MPOLTA4HEPHX2MMP13
SCHEMBL184274 0.82 ST14 (0.55) FDFT1MPOALDH1A1SMN1; SMN2MITF
SCHEMBL8429859 0.82 FDFT1 (0.46) FDFT1MPOLTA4HEPHX2MMP13
SCHEMBL11313737 0.82 MAPT (0.42) ALDH1A1SMN1; SMN2HTTKDM4ETTR

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
EP-1756096-B1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-08-12 EP disclosed
US-7485652-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2009-02-03 US disclosed
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators DEHMLOW HENRIETTA 2007-05-03 US disclosed
EP-1756096-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
US-7173048-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US disclosed
WO-2005105791-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 WO disclosed
US-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 US disclosed
US-4883789-A Substituted phenyltrialkylsilane insecticides FMC CORPORATION (US) 1989-11-28 US disclosed
US-4611009-A Combating arthropods with 3-phenoxybenzyl 2,2-dimethyl-3-vinylcyclopropane carboxylates BAYER AKTIENGESELLSCHAFT (DE) 1986-09-09 US disclosed
US-4276306-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-06-30 US disclosed
EP-0000345-B1 SUBSTITUTED PHENOXYBENZYLOXYCARBONYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INSECTICIDES AND ACARICIDES BAYER AG (DE) 1981-04-01 EP disclosed
US-4256907-A Preparation of substituted vinylcyclopropane-carboxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed
EP-0011695-A1 Substituted cyclopropane carboxylic acids and their derivatives; their preparation and their use for the preparation of insecticides and acaricides BAYER AG (DE) 1980-06-11 EP disclosed
EP-0000345-A1 Substituted phenoxybenzyloxycarbonyl derivatives, their preparation and their use as insecticides and acaricides BAYER AG (DE) 1979-01-24 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 (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-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators INSR, NR1H2, NR1H3 FDFT1 742/4885MPO 4156/4885LTA4H 2041/4885
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 FDFT1 742/4885MPO 4156/4885LTA4H 2041/4885

“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.