SCHEMBL6731917

SCHEMBL6731917

O=C(O)c1c(I)ccc(C(F)(F)F)c1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CES2 O00748 1/20 0.34
▸ CFTR P13569 1/20 0.34
▸ NOTUM Q6P988 3/20 0.33
▸ KAT6A Q92794 1/20 0.33
▸ KMO O15229 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ FABP4 P15090 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ ASPH Q12797 1/20 0.32
▸ SRD5A2 P31213 1/20 0.32

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
SCHEMBL936925 0.81 DAO (0.46) DAOALDH1A1HPGDCES2NOTUM
SCHEMBL27379121 0.80 TAS2R14 (0.41) DAOALDH1A1HPGDCES2CFTR
SCHEMBL30755336 0.80 TAS2R14 (0.41) DAOALDH1A1HPGDCES2CFTR
SCHEMBL19585173 0.79 DAO (0.44) DAOALDH1A1HPGDCES2NOTUM
SCHEMBL30054183 0.78 DAO (0.43) DAOALDH1A1HPGDCES2NOTUM
SCHEMBL6728532 0.78 DPP4 (0.47) DAOALDH1A1HPGDNOTUMKMO
SCHEMBL1458478 0.78 MEN1 (0.36) DAOCES2CFTRNOTUMKMO
SCHEMBL6725047 0.78 DAO (0.43) DAOALDH1A1HPGDCES2NOTUM
SCHEMBL6418751 0.76 CES2 (0.40) ALDH1A1CES2ASPH
SCHEMBL22980390 0.75 DPP4 (0.47) ALDH1A1HPGDNOTUMKMOASPH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677479-B2 REACTING A HALOGENATED BENZENE COMPOUND WITH ALDEHYDE; SOLVENT EXTRACTION; PURIFICATION CLARIANT FINANCE LBVI LIMITED (VG) 2004-01-13 — — US disclosed
US-20030092930-A1 Substituted fluoroaromatics, process for preparing them and their use CLARIANT GMBH 2003-05-15 — — 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-20030092930-A1 Substituted fluoroaromatics, process for preparing them and their use CYP2F1, CYP1A1, CYP4X1 DAO 681/4885ALDH1A1 589/4885HPGD 1275/4885

“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.

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