SCHEMBL17548599

SCHEMBL17548599

Fc1ccc(-c2cc3ccc(C(F)(F)F)cc3[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.46
METAP2 P50579 1/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
DGAT1 O75907 2/20 0.41
KCNH2 Q12809 2/20 0.41
NPBWR1 P48145 2/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A1 P04798 1/20 0.40

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
SCHEMBL22160201 0.87 CYP1A1 (0.50) PTGDR2CTSVCTSLCCNB2CDK1
SCHEMBL4884700 0.85 NPC1 (0.58) PTGDR2METAP2DGAT1KCNH2NPBWR1
SCHEMBL4568265 0.77 CDK5 (0.41) PTGDR2METAP2DGAT1KCNH2NPBWR1
SCHEMBL695341 0.77 ITK (0.56) CTSVCTSLKDM4EALDH1A1GAA
SCHEMBL4893046 0.77 NPC1 (0.65) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL695284 0.77 ALDH1A1 (0.57) PTGDR2CTSVCTSLKDM4EALDH1A1
SCHEMBL30047184 0.77 NPC1 (0.65) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL31710883 0.77 PTGDR2 (0.48) PTGDR2KDM4EALDH1A1HTTKIF11
SCHEMBL4568271 0.75 CYP19A1 (0.62) PTGDR2METAP2DGAT1KCNH2NPBWR1
SCHEMBL31710401 0.75 PTGDR2 (0.52) PTGDR2KDM4EALDH1A1MAPTKMT2A

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-10377711-B2 Cannabinoid type 1 receptor modulators THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2019-08-13 US disclosed
US-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2018-05-03 US disclosed
WO-2016029310-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-03-03 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-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS CNR1, CNR2, GPR18 PTGDR2 77/4885METAP2 4209/4885CTSV 4066/4885
US-10377711-B2 Cannabinoid type 1 receptor modulators CNR1, CNR2, GPR18 PTGDR2 77/4885METAP2 4209/4885CTSV 4066/4885

“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.