SCHEMBL3904366

SCHEMBL3904366

O=C(O)c1ccc(OCCF)cc1O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
TSHR P16473 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
PPARD Q03181 1/20 0.51
MAOB P27338 7/20 0.48
PLA2G4A P47712 1/20 0.46
PLA2G2A P14555 1/20 0.46
POLB P06746 1/20 0.46
MAOA P21397 1/20 0.46
MCL1 Q07820 1/20 0.45

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
SCHEMBL632103 0.88 ALDH1A1 (0.53) CA12ALDH1A1CA1CA2TSHR
SCHEMBL29664618 0.88 ALDH1A1 (0.53) CA12ALDH1A1CA1CA2TSHR
SCHEMBL7035557 0.87 ALDH1A1 (0.52) CA12ALDH1A1CA1CA2TSHR
SCHEMBL11044502 0.87 PPARD (0.55) CA12ALDH1A1CA1CA2TSHR
SCHEMBL3660001 0.85 PPARD (0.57) CA12ALDH1A1CA1CA2TSHR
SCHEMBL3658911 0.85 PPARD (0.54) CA12ALDH1A1CA1CA2TSHR
SCHEMBL3302212 0.84 PPARD (0.52) CA12ALDH1A1CA1CA2TSHR
SCHEMBL3298167 0.84 PPARD (0.52) CA12ALDH1A1CA1CA2TSHR
SCHEMBL538994 0.83 KMT2A (0.55) CA12ALDH1A1CA1CA2TSHR
SCHEMBL538636 0.83 PPARD (0.58) TSHRPPARDMAOBPLA2G2AMCL1

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 12 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
EP-1670783-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2006-06-21 EP 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-2005049604-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2005-06-02 WO 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 2570/4885ALDH1A1 458/4885CA1 2130/4885
US-20050267205-A1 2,4-dihydroxybenzoic acid derivatives CYP24A1, NFKBIA, PAH CA12 1530/4885ALDH1A1 101/4885CA1 1723/4885

“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.