SCHEMBL3339869

SCHEMBL3339869

CCc1cc(OCc2ccccc2)cc2c1c(C(=O)O)nn2C1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.41
CYP4A11 Q02928 4/20 0.41
ATR Q13535 1/20 0.40
HTR3A P46098 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR4A2 P43354 1/20 0.37
PTGER1 P34995 1/20 0.36
LMNA P02545 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
KDM2B Q8NHM5 1/20 0.36
SRD5A2 P31213 1/20 0.36
SPHK2 Q9NRA0 1/20 0.36

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 0.85 HTR3A (0.48) CYP4F2CYP4A11ATRHTR3AKMT2A
SCHEMBL3338627 0.84 RXRA (0.39) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL3338672 0.83 RXRA (0.35) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL2237767 0.80 HTR3A (0.46) CYP4F2CYP4A11HTR3AKMT2AMEN1
SCHEMBL176753 0.75 CYP4F2 (0.44) CYP4F2CYP4A11ATRHTR3ACNR1
SCHEMBL31705078 0.75 CYP4F2 (0.37) CYP4F2CYP4A11ATRHTR3ASMN1; SMN2
SCHEMBL2303237 0.75 HTR3A (0.44) CYP4F2CYP4A11ATRHTR3ACNR1
SCHEMBL24013115 0.75 CYP4F2 (0.47) CYP4F2CYP4A11ATRHTR3AKMT2A
SCHEMBL31704222 0.74 CYP4F2 (0.42) CYP4F2CYP4A11ATRHTR3ASMN1; SMN2
SCHEMBL25417349 0.74 CYP4F2 (0.42) CYP4F2CYP4A11ATRHTR3ASMN1; SMN2

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 CYP4F2 937/4885CYP4A11 137/4885ATR 3386/4885

“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.