SCHEMBL18152579

SCHEMBL18152579

Cc1cc2cc(O)ccc2[nH]1.Oc1cccc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.47
CYP2A6 P11509 1/20 0.41
KEAP1 Q14145 1/20 0.41
PDGFRB P09619 3/20 0.41
KIT P10721 2/20 0.41
CA2 P00918 1/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
AXL P30530 1/20 0.40
SMAD3 P84022 1/20 0.39
PDGFRA P16234 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37

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
SCHEMBL12348 0.81 CYP2A6 (0.59) FLT3CYP2A6KEAP1PDGFRBKIT
Fluoride SCHEMBL28393975 0.79 CYP2A6 (0.57) FLT3CYP2A6KEAP1PDGFRBKIT
2-Chlorophenol SCHEMBL18151937 0.78 ALDH1A1 (0.47) FLT3CYP2A6KEAP1PDGFRBKIT
SCHEMBL7805063 0.70 CES2 (0.48) CA2
SCHEMBL15839 0.70
SCHEMBL27765605 0.68 PTGS2 (0.59) FLT3CYP2A6KEAP1AXLMAOA
Water SCHEMBL28142244 0.68 CES2 (0.46) CA2
Benzene SCHEMBL28833613 0.68 CES2 (0.46) CA2
SCHEMBL2925830 0.68 KEAP1 (0.41) CYP2A6KEAP1AXLMAOAMAOB
SCHEMBL12433 0.67 KEAP1 (0.59) FLT3CYP2A6KEAP1AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180251426-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2018-09-06 US disclosed
US-20160304451-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-10-20 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-20180251426-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 FLT3 3507/4885CYP2A6 3852/4885KEAP1 2020/4885
US-20160304451-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 FLT3 3507/4885CYP2A6 3852/4885KEAP1 2020/4885

“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.