SCHEMBL3909475

SCHEMBL3909475

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA14 Q9ULX7 2/20 0.57
PDK2 Q15119 1/20 0.57
PDK4 Q16654 1/20 0.57
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 2/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4406753 0.89 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL4406748 0.86 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL21434731 0.84 CYP1A2 (0.53) PDK2CYP1A2CYP2C9ALDH1A1KDM4E
SCHEMBL22749456 0.84 CFTR (0.62) CYP1A2CYP2C9ALDH1A1KDM4EGAA
SCHEMBL4408334 0.83 KDM4E (0.51) CA12CA1CA2CA7CA9
SCHEMBL1098123 0.82 CYP2C9 (0.73) CYP1A2CYP2C9ALDH1A1KDM4EMAPT
SCHEMBL24436789 0.81 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL3207510 0.81 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL30660469 0.81 KDM4E (0.57) CYP1A2CYP2C9ALDH1A1KDM4EMAPT
SCHEMBL28255789 0.81 CYP1A2 (0.60) CYP1A2CYP2C9ALDH1A1KDM4EGAA

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 10 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-7511066-B2 Antithrombotic aromatic ethers ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-20070027185-A1 Antithrombotic aromatic ethers ELILILLY AND COMPANY (US) 2007-02-01 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-20070027185-A1 Antithrombotic aromatic ethers F2, F11, TFPI CA12 2570/4885CA1 2130/4885CA2 2701/4885
US-20050267205-A1 2,4-dihydroxybenzoic acid derivatives CYP24A1, NFKBIA, PAH CA12 1530/4885CA1 1723/4885CA2 532/4885

“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.