SCHEMBL4409803

SCHEMBL4409803

CC(=O)Oc1cc(OCCF)ccc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.68
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 3/20 0.54
HPGD P15428 2/20 0.54
USP2 O75604 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPK1 P28482 2/20 0.50
MAPT P10636 1/20 0.50
ESR1 P03372 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HMGB1 P09429 1/20 0.47
TSHR P16473 1/20 0.47
GGT1 P19440 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
BLM P54132 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CFD P00746 2/20 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
SCHEMBL11452513 0.84 KDM4E (0.66) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL5603081 0.81 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL4406761 0.80 KDM4E (0.62) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL8747924 0.79 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL16909329 0.79 THRA (0.48) ALDH1A1TSPORARARARBHTT
SCHEMBL4613548 0.79 KDM4E (0.81) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL3904366 0.77 CA12 (0.52) ALDH1A1TSHRPPARD
SCHEMBL19915190 0.77 MAPK1 (0.72) KDM4EALDH1A1HPGDCYP2C19MAPK1
SCHEMBL12121576 0.77 KDM4E (0.71) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL27051456 0.77 KDM4E (0.71) KDM4EALDH1A1HSD17B10HPGDUSP2

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-7589125-B2 2-acetoxy-4-(2,2,3,3,3-pentafluoropropoxy)benzoic acid; methyl 2-hydroxy-4-(2,2,3,3,3-pentafluoropropoxy)benzoate; psoriasis and other immune diseases PALAU PHARMA, S.A. (ES) 2009-09-15 US claimed
US-20050267205-A1 2,4-dihydroxybenzoic acid derivatives J. URIACH Y COMPANIA S.A. (ES) 2005-12-01 US claimed
EP-1546084-A1 2,4-DIHYDROXYBENZOIC ACID DERIVATIVES J. Uriach y Compania S.A. (ES) 2005-06-29 EP claimed
WO-2004009528-A1 2,4-DIHYDROXYBENZOIC ACID DERIVATIVES J. Uriach Y Compañia S.A. (ES) 2004-01-29 WO claimed
US-7589125-B2 2-acetoxy-4-(2,2,3,3,3-pentafluoropropoxy)benzoic acid; methyl 2-hydroxy-4-(2,2,3,3,3-pentafluoropropoxy)benzoate; psoriasis and other immune diseases PALAU PHARMA, S.A. (ES) 2009-09-15 US disclosed
US-20050267205-A1 2,4-dihydroxybenzoic acid derivatives J. URIACH Y COMPANIA S.A. (ES) 2005-12-01 US disclosed
EP-1546084-A1 2,4-DIHYDROXYBENZOIC ACID DERIVATIVES J. Uriach y Compania S.A. (ES) 2005-06-29 EP disclosed
WO-2004009528-A1 2,4-DIHYDROXYBENZOIC ACID DERIVATIVES J. Uriach Y Compañia S.A. (ES) 2004-01-29 WO 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-20050267205-A1 2,4-dihydroxybenzoic acid derivatives CYP24A1, NFKBIA, PAH KDM4E 638/4885ALDH1A1 101/4885HSD17B10 77/4885

“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.