SCHEMBL18814830

SCHEMBL18814830

ISc1cnc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
PDGFRB P09619 3/20 0.47
PDGFRA P16234 3/20 0.47
MGAM O43451 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.44
CYP2A6 P11509 1/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
ACHE P22303 1/20 0.44
BIRC5 O15392 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GPR3 P46089 1/20 0.42
EGFR P00533 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL8094448 0.83 CYP1A2 (0.57) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL271506 0.79 CYP1A2 (0.59) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL271505 0.79 CYP1A2 (0.53) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL24593163 0.79 CYP1A2 (0.53) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL30618060 0.78 HPGD (0.56) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL29105728 0.78 HPGD (0.56) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL8569257 0.75 CYP1A2 (0.53) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL9620162 0.75 CYP1A2 (0.48) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL455964 0.75 CYP1A2 (0.48) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL28028241 0.75 CYP1A2 (0.48) CYP1A2PDGFRBPDGFRAMGAMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121300-A1 METHOD OF FLUORINATION USING IODONIUM YLIDES THE GENERAL HOSPITAL CORPORATION 2017-05-04 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-20170121300-A1 METHOD OF FLUORINATION USING IODONIUM YLIDES FLI1, ABL1, PFAS CYP1A2 350/4885PDGFRB 570/4885PDGFRA 378/4885

“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.