SCHEMBL4408334

SCHEMBL4408334

O=C(O)c1ccc(OCC(F)(F)F)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 5/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
TSHR P16473 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAPT P10636 5/20 0.48
HTT P42858 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAOB P27338 2/20 0.47
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL2273298 0.88 ALDH1A1 (0.47) KDM4EALDH1A1CA12CA1CA2
SCHEMBL4406337 0.85 ALDH1A1 (0.45) KDM4EALDH1A1CA12CA1CA2
SCHEMBL15350813 0.84 KDM4E (0.51) KDM4EALDH1A1MAPTHTTCYP1A2
SCHEMBL3909475 0.83 CA12 (0.57) KDM4EALDH1A1CA12CA1CA2
SCHEMBL2716480 0.83 KDM4E (0.50) KDM4EALDH1A1TSHRMAPTHTT
SCHEMBL14339199 0.83 ALDH1A1 (0.52) KDM4EALDH1A1MAPTHTTL3MBTL1
SCHEMBL978291 0.81 KDM4E (0.71) KDM4EALDH1A1MAPTHTTCYP1A2
SCHEMBL15350432 0.80 CYP1A2 (0.54) KDM4EALDH1A1CYP1A2CYP2C9POLB
SCHEMBL9018717 0.79 ALDH1A1 (0.56) KDM4EALDH1A1HTTCYP1A2CYP2C9
Hydrochloric Acid SCHEMBL10754121 0.79 KDM4E (0.69) KDM4EALDH1A1MAPTHTTCYP1A2

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
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
EP-2841421-B1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2019-06-05 EP disclosed
US-9701658-B2 Amide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2017-07-11 US disclosed
US-9701658-B2 Amide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2017-07-11 US disclosed
US-20150105393-A1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-04-16 US disclosed
US-20150105393-A1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-04-16 US disclosed
WO-2013161308-A1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2013-10-31 WO disclosed
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 (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-20150105393-A1 AMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN5A, SCN1A KDM4E 1198/4885ALDH1A1 2669/4885CA12 3784/4885
US-20050267205-A1 2,4-dihydroxybenzoic acid derivatives CYP24A1, NFKBIA, PAH KDM4E 638/4885ALDH1A1 101/4885CA12 1530/4885

“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.