SCHEMBL5156835

SCHEMBL5156835

O=C(Cl)c1ccc(OC(F)(F)F)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MGLL Q99685 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
EPHX2 P34913 2/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
NOTUM Q6P988 1/20 0.40
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALPL P05186 1/20 0.35

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
SCHEMBL31156107 0.87 NOTUM (0.36) ALDH1A1MGLLEPHX2NOTUMRXRA
SCHEMBL1918950 0.85 RXRA (0.47) ALDH1A1MGLLCYP1A2CYP2C19EPHX2
SCHEMBL29784280 0.85 RXRA (0.47) ALDH1A1MGLLCYP1A2CYP2C19EPHX2
SCHEMBL10976235 0.85 ALDH1A1 (0.46) ALDH1A1MGLLCYP1A2CYP2C19EPHX2
SCHEMBL12293763 0.83 ALDH1A1 (0.45) ALDH1A1MGLLCYP1A2CYP2C19EPHX2
SCHEMBL4099189 0.83 SLC6A2 (0.48) ALDH1A1MGLLCYP1A2CYP2C19EPHX2
SCHEMBL24959789 0.81 KMO (0.47) EPHX2KMO
SCHEMBL24956819 0.81 EPHX2 (0.55) EPHX2RXRARXRBRXRGRAB9A
SCHEMBL4314290 0.81 NOTUM (0.63) ALDH1A1MGLLCYP1A2CYP2C19CYP2D6
SCHEMBL9712610 0.80 EPHX2 (0.40) EPHX2NOTUMRXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1191012-B1 Process for the preparation of fluorine containing benzaldehydes SALTIGO GMBH (DE) 2007-01-17 EP disclosed
US-6596906-B2 Reacting an fluorine containing aromatic acid chloride with hydrogen in the presence of a supported palladium catalyst and a catalyst moderator to form fluorine-containing benzaldehydes BAYER AKTIENGESELLSCHAFT (DE) 2003-07-22 US disclosed
US-20030125583-A1 Process for preparing fluorine-containing benzaldehydes BAUMANN KATHE (DE) 2003-07-03 US disclosed
JP-2002145822-A METHOD FOR PRODUCING FLUORINE-CONTAINING BENZALDEHYDE BAYER AG 2002-05-22 JP disclosed
US-20020038055-A1 Process for preparing fluorine-containing benzaldehydes LANXESS DEUTSCHLAND GMBH (DE) 2002-03-28 US disclosed
EP-1191012-A1 Process for the preparation of fluorine containing benzaldehydes BAYER AG (DE) 2002-03-27 EP disclosed
EP-0070464-B1 SUBSTITUTED PHENYLCYCLOPROPANECARBOXYLIC-ACID ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS INSECTICIDES BAYER AG (DE) 1985-10-02 EP disclosed
US-4529557-A Fluorine substitution on phenyl ring BAYER AKTIENGESELLSCHAFT (DE) 1985-07-16 US disclosed
EP-0070464-A1 Substituted phenylcyclopropanecarboxylic-acid esters, process for their preparation and their use as insecticides BAYER AG (DE) 1983-01-26 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-20030125583-A1 Process for preparing fluorine-containing benzaldehydes FLI1, FIP1L1, AFF4 ALDH1A1 337/4885MGLL 1577/4885CYP1A2 1185/4885
US-20020038055-A1 Process for preparing fluorine-containing benzaldehydes FLI1, FIP1L1, AFF4 ALDH1A1 337/4885MGLL 1577/4885CYP1A2 1185/4885

“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.