SCHEMBL4872353

SCHEMBL4872353

O=C(O)c1ccccc1Cc1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.72
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
FOLH1 Q04609 1/20 0.53
PTPN1 P18031 4/20 0.48
HCAR2 Q8TDS4 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN6 P29350 1/20 0.46
FABP4 P15090 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
SCHEMBL9018905 0.87 TSHR (0.54) TSHRCA1CA2CA9CYP1A2
SCHEMBL23003 0.87 TSHR (0.79) TSHRCA1CA2CA9KMT2A
SCHEMBL28370887 0.85 TSHR (0.76) TSHRCA1CA2CA9KMT2A
Ammonia Solution, Strong SCHEMBL27527756 0.85 TSHR (0.76) TSHRCA1CA2CA9KMT2A
SCHEMBL5515624 0.84 FOLH1 (0.56) TSHRCYP1A2CYP2C19KMT2AFOLH1
SCHEMBL1500536 0.84 TSHR (0.51) TSHRCA1CA2CA9CYP1A2
SCHEMBL7759867 0.84 TSHR (0.74) TSHRCA1CA2CA9FOLH1
SCHEMBL29580520 0.84 TSHR (0.74) TSHRCA1CA2CA9FOLH1
SCHEMBL69041 0.84 TSHR (1.00) TSHRCA1CA2CA9CYP1A2
SCHEMBL2292722 0.84 TSHR (0.74) TSHRCA1CA2CA9KMT2A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126819-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) Vertex Pharmaceuticals Incorporated (US) 2023-02-08 EP disclosed
EP-1789375-B1 PROCESS FOR THE PRODUCTION OF [2-(4-FLUORO-BENZYL)-PHENYL]-ACETIC ACID JANSSEN PHARMACEUTICA NV (BE) 2015-12-09 EP disclosed
EP-1789375-B1 PROCESS FOR THE PRODUCTION OF [2-(4-FLUORO-BENZYL)-PHENYL]-ACETIC ACID JANSSEN PHARMACEUTICA NV (BE) 2015-12-09 EP disclosed
CN-100591652-C Method for producing 2-(4-fluoro-benzyl)-phenyl-acetic acid JANSSEN PHARMACEUTICA NV 2010-02-24 CN disclosed
US-7470809-B2 Process for the production of [2-(4-fluoro-benzyl)-phenyl]-acetic acid JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-30 US disclosed
US-7470809-B2 Process for the production of [2-(4-fluoro-benzyl)-phenyl]-acetic acid JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-30 US disclosed
US-7470809-B2 Process for the production of [2-(4-fluoro-benzyl)-phenyl]-acetic acid JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-30 US disclosed
US-20070213556-A1 NOVEL PROCESS FOR THE PRODUCTION OF [2-(4-FLUORO-BENZYL)-PHENYL]-ACETIC ACID JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-13 US disclosed
US-20070213556-A1 NOVEL PROCESS FOR THE PRODUCTION OF [2-(4-FLUORO-BENZYL)-PHENYL]-ACETIC ACID JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-13 US disclosed
US-20070213556-A1 NOVEL PROCESS FOR THE PRODUCTION OF [2-(4-FLUORO-BENZYL)-PHENYL]-ACETIC ACID JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-13 US disclosed
US-20050033067-A1 Preparation of cis-fused 3,3a,8,12b-tetrahydro-2h-dibenzo[3,4:6,7]cyclohepta[1,2-b]furan derivatives HUA MAO (US) 2005-02-10 US disclosed
US-20050014820-A1 Preparation of trans-fused 3,3a,8,12b-tetrahydro-2h-dibenzo[3,4:6,7]cyclohepta[1,2-b]furan derivatives ELANCO ANIMAL HEALTH IRELAND LIMITED (IE) 2005-01-20 US disclosed
EP-1463722-A2 PREPARATION OF CIS-FUSED 3,3a,8,12b-TETRAHYDRO-2-H-DIBENZO[3,4:6,7]CYCLOHEPTA[1,2-b]FURAN DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2004-10-06 EP disclosed
EP-1456193-A1 PREPARATION OF TRANS-FUSED 3,3a,8,12b-TETRAHYDRO-2 i H /i -DIBENZO 3,4:6,7]CYCLOHEPTA 1,2-b]FURAN DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-15 EP disclosed
US-6610721-B2 Imidazo heterocyclic compounds NOVO NORDISK A/S (DK) 2003-08-26 US disclosed
WO-2003048147-A2 PREPARATION OF CIS-FUSED 3,3a,8,12b-TETRAHYDRO-2H-DIBENZO[3,4:6,7]CYCLOHEPTA[1,2-b]FURAN DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-06-12 WO disclosed
WO-2003048146-A1 PREPARATION OF TRANS-FUSED 3,3a,8,12b-TETRAHYDRO-2H-DIBENZO[3,4:6,7]CYCLOHEPTA[1,2-b]FURAN DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-06-12 WO disclosed
EP-1268483-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP disclosed
US-20010049385-A1 Imidazo heterocyclic compounds HIGH POINT PHARMACEUTICALS, LLC 2001-12-06 US disclosed
WO-2001068651-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 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 (4 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-20050033067-A1 Preparation of cis-fused 3,3a,8,12b-tetrahydro-2h-dibenzo[3,4:6,7]cyclohepta[1,2-b]furan derivatives CYP4F3, DHFR, CYP11B1 TSHR 2710/4885CA1 1743/4885CA2 2960/4885
US-20070213556-A1 NOVEL PROCESS FOR THE PRODUCTION OF [2-(4-FLUORO-BENZYL)-PHENYL]-ACETIC ACID ADH1A, ADH1C, CA4 TSHR 4002/4885CA1 12/4885CA2 6/4885
US-20010049385-A1 Imidazo heterocyclic compounds HRH4, HRH3, HRH2 TSHR 509/4885CA1 2322/4885CA2 1696/4885
US-20050014820-A1 Preparation of trans-fused 3,3a,8,12b-tetrahydro-2h-dibenzo[3,4:6,7]cyclohepta[1,2-b]furan derivatives CYP4F3, DHFR, CYP4F8 TSHR 1801/4885CA1 2075/4885CA2 3323/4885

“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.