SCHEMBL2114341

SCHEMBL2114341

Fc1ccc(-c2ccc(Cl)[c]c2Cl)cc1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
PTGS2 P35354 8/20 0.34
PTGS1 P23219 4/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
NOTUM Q6P988 1/20 0.33
DPP4 P27487 1/20 0.33
CYP11B2 P19099 3/20 0.32
CYP11B1 P15538 2/20 0.32
CYP17A1 P05093 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL6068229 0.78 AHR (0.39) PTGS2PTGS1NOTUM
SCHEMBL17514849 0.76 KMO (0.36)
SCHEMBL15287170 0.76 TDO2 (0.41) NOTUM
SCHEMBL2050955 0.74 PTGS2 (0.36) PTGS2PTGS1HSD17B1HSD17B2NOTUM
SCHEMBL4284712 0.73 ALDH1A1 (0.41) CYP3A4
SCHEMBL977662 0.73
SCHEMBL29097678 0.72 GRM2 (0.43) AKR1C3AKR1C2PDE3BPDE3ADPP4
SCHEMBL17514576 0.72 HTR5A (0.31)
SCHEMBL456350 0.70 CYP2A6 (0.44) DPP4
SCHEMBL15636867 0.69 CA1 (0.32)

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-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 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-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same MCL1, AS3MT, MYADM AKR1C3 2600/4885AKR1C2 2373/4885PTGS2 1446/4885
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME MCL1, AS3MT, MYADM AKR1C3 2600/4885AKR1C2 2373/4885PTGS2 1446/4885

“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.