SCHEMBL545012

SCHEMBL545012

Cc1c(F)c(C(=O)O)c(F)c(C(=O)O)c1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.41
TAS1R3 Q7RTX0 11/20 0.38
TAS1R1 Q7RTX1 10/20 0.38
TAS1R2 Q8TE23 10/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ASPH Q12797 1/20 0.35
KDM8 Q8N371 1/20 0.35
NOTUM Q6P988 1/20 0.34
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34

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
SCHEMBL2921028 0.94 TAS1R3 (0.38) HCAR2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL2860749 0.90 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL19130691 0.89 MEN1 (0.41) HCAR2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL503607 0.89 TAS1R3 (0.47) HCAR2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL6578763 0.89 TAS1R3 (0.42) HCAR2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL18774734 0.88 CYP1A2 (0.41) HCAR2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL13447235 0.86 TAS1R3 (0.41) HCAR2TAS1R3TAS1R1TAS1R2MEN1
Hydrochloric Acid SCHEMBL6740806 0.86 TAS1R3 (0.45) HCAR2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL15910032 0.86 TAS1R3 (0.36) HCAR2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL7074989 0.86 TAS1R3 (0.41) HCAR2TAS1R3TAS1R1TAS1R2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110330-B2 a mixture of binder resins, colorants, release agent and zeolites, used to form high quality images, by electrography RICOH COMPANY, LTD. (JP) 2012-02-07 US disclosed
US-20080146839-A1 Hydrolysis of 5-halo-2,4,6-trifluoroisophthalodinitrile by reacting with a concentrated sulphuric acid at room temperature in order to form a 5-halo-2,4,6-trifluoroisophthalodiamide which is then heated; volume of sulfuric acid required is low BASF AKTIENGESELLSCHAFT (DE) 2008-06-19 US disclosed
US-20080131797-A1 Toner, developer, toner container, process cartridge, image forming method, and image forming apparatus RICOH COMPANY, LTD. (JP) 2008-06-05 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 (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-20080146839-A1 Hydrolysis of 5-halo-2,4,6-trifluoroisophthalodinitrile by reacting with a concentrated sulphuric acid at room temperature in order to form a 5-halo-2,4,6-trifluoroisophthalodiamide which is then heated; volume of sulfuric acid required is low HDHD5, TST, MPST HCAR2 2362/4885TAS1R3 2445/4885TAS1R1 2628/4885

“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.