SCHEMBL3339866

SCHEMBL3339866

CCC(Oc1ccc2c(C(=O)O)nn(C3CCCCO3)c2c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGLV6-57 P01721 1/20 0.41
ALKBH1 Q13686 1/20 0.38
SLC6A3 Q01959 5/20 0.36
CMKLR1 Q99788 4/20 0.36
DGAT2 Q96PD7 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
OXTR P30559 1/20 0.35
HTR3A P46098 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
SLC6A4 P31645 1/20 0.33
ELANE P08246 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL177022 0.81 HTR3A (0.48) CMKLR1CYP4F2CYP4A11HTR3ATDP1
SCHEMBL25241376 0.78 FGFR1 (0.37) DGAT2CYP4F2CYP4A11RXRARXRB
SCHEMBL176777 0.78 DGAT2 (0.37) CMKLR1DGAT2CYP4F2CYP4A11HTR3A
SCHEMBL25233771 0.77 MEN1 (0.40) DGAT2CYP4F2CYP4A11HTR3ARXRA
SCHEMBL2237767 0.75 HTR3A (0.46) CYP4F2CYP4A11HTR3AELANE
SCHEMBL2239274 0.72 ELANE (0.45) DGAT2ELANE
SCHEMBL3339869 0.72 CYP4F2 (0.41) CYP4F2CYP4A11HTR3ARXRARXRB
SCHEMBL257431 0.72 ELANE (0.44) ELANE
SCHEMBL5207781 0.71 MAPT (0.42) DGAT2TDP1
SCHEMBL12090318 0.71 ELANE (0.48) ELANE

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-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 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-20100152265-A1 INDAZOLE DERIVATIVES ADRB3, INSR, ADRB1 IGLV6-57 3200/4885ALKBH1 3659/4885SLC6A3 122/4885

“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.