SCHEMBL5178136

SCHEMBL5178136

O=C(c1ccc(F)cc1)c1cccc(Cl)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.51
RORC P51449 4/20 0.46
AKR1C3 P42330 3/20 0.46
GAA P10253 1/20 0.46
PBRM1 Q86U86 1/20 0.45
ATM Q13315 2/20 0.45
CDC25B P30305 1/20 0.45
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 2/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C9 P11712 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL1819616 0.87 NR4A1 (0.69) NR4A1AKR1C3PBRM1ATMCDC25B
SCHEMBL5962987 0.86 AKR1C3 (0.62) NR4A1AKR1C3GAAPBRM1ATM
SCHEMBL21247044 0.85 AKR1C3 (0.55) NR4A1AKR1C3GAAATMCDC25B
SCHEMBL609880 0.84 GAA (0.54) RORCGAAATMTSHRALDH1A1
SCHEMBL9725353 0.82 TSHR (0.57) NR4A1AKR1C3PBRM1CDC25BTSHR
SCHEMBL29375774 0.81 KMT2A (0.62) NR4A1ALDH1A1POLBKMT2ALMNA
SCHEMBL333687 0.81 KMT2A (0.62) NR4A1ALDH1A1POLBKMT2ALMNA
Benzene SCHEMBL28318261 0.80 AKR1C3 (0.61) NR4A1AKR1C3GAAATMCDC25B
SCHEMBL503678 0.79 AKR1C3 (0.73) NR4A1AKR1C3GAAATMCDC25B
SCHEMBL8956729 0.79 KMT2A (0.44) ATMALDH1A1POLBKMT2ALMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1277726-B1 PROCESS FOR THE PREPARATION OF 2-HALOBENZOIC ACIDS NIHON NOHYAKU CO LTD (JP) 2007-01-03 EP disclosed
US-7057067-B2 Process for the preparation of 2-halobenzoic acids NIHON NOHYAKU CO., LTD. (JP) 2006-06-06 US disclosed
US-20030181759-A1 Process for the preparation of 2-halobenzoic acids NIHON NOHYAKU CO., LTD. (JP) 2003-09-25 US disclosed
EP-1277726-A1 PROCESS FOR THE PREPARATION OF 2-HALOBENZOIC ACIDS Nihon Nohyaku Co., Ltd. (JP) 2003-01-22 EP 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-20030181759-A1 Process for the preparation of 2-halobenzoic acids HAO2, CBR1, AOC2 NR4A1 215/4885RORC 1362/4885AKR1C3 268/4885

“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.