SCHEMBL4079253

SCHEMBL4079253

O=C(O)Cc1cccc(-c2ccccc2Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.57
▸ FABP4 P15090 1/20 0.55
▸ SHMT1 P34896 1/20 0.54
▸ SHMT2 P34897 1/20 0.54
▸ AOC3 Q16853 1/20 0.54
▸ PLA2G10 O15496 1/20 0.53
▸ PLA2G2A P14555 1/20 0.53
▸ SELL P14151 3/20 0.52
▸ SELP P16109 3/20 0.52
▸ SELE P16581 2/20 0.52
▸ AKR1B1 P15121 2/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ ABCC4 O15439 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ HTT P42858 1/20 0.49

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
SCHEMBL17187933 0.88 PLA2G10 (0.60) FFAR1FABP4PLA2G10PLA2G2ASELL
SCHEMBL3839813 0.86 PLA2G10 (0.58) FABP4PLA2G10PLA2G2ASELLSELP
SCHEMBL23296156 0.84 SHMT1 (0.74) FFAR1FABP4SHMT1SHMT2PLA2G10
SCHEMBL27999724 0.82 SELP (0.60) PLA2G10PLA2G2ASELLSELPSELE
SCHEMBL4211652 0.81 GAA (0.63) FFAR1AKR1B1CYP2A6ABCC4LMNA
SCHEMBL538397 0.81 ABCC4 (0.67) FFAR1AOC3PLA2G10PLA2G2AAKR1B1
SCHEMBL7486012 0.80 CA2 (0.59) AKR1B1ABCC4LMNAGAATSHR
SCHEMBL11839181 0.80 CSNK2A1 (0.62) SHMT1SHMT2PLA2G10PLA2G2AAKR1B1
SCHEMBL27894604 0.80 CYP2A6 (0.57) FFAR1AOC3CYP2A6
SCHEMBL14340872 0.79 AKR1B1 (0.54) PLA2G10PLA2G2ASELLSELPSELE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 — — EP disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 — — US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 — — US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 — — US disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 — — US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 — — EP disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 — — US 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-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 FFAR1 2094/4885FABP4 3535/4885SHMT1 683/4885
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 FFAR1 3064/4885FABP4 3844/4885SHMT1 2562/4885

“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.

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