SCHEMBL9152058

SCHEMBL9152058

CCCC(CC)(CC)C(=O)OCC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.66
CYP4A11 Q02928 2/20 0.66
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 3/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 3/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 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
Ammonia Solution, Strong SCHEMBL28105328 0.98 CYP4F2 (0.63) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL29104226 0.95 CYP4F2 (0.60) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL30608259 0.91 CYP4F2 (0.53) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL5557393 0.87 CYP4F2 (0.72) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL444076 0.85 CYP4F2 (0.63) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL18050498 0.85 CYP4F2 (0.50) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL17617119 0.84 CYP4F2 (0.48) CYP4F2CYP4A11MEN1KMT2AATM
SCHEMBL28231496 0.84 CYP4F2 (0.63) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL25247450 0.84 CYP4F2 (0.73) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL9574956 0.84 CYP4F2 (0.73) CYP4F2CYP4A11MEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083341-A1 METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE API CORPORATION (JP) 2016-03-24 US disclosed
CN-1040874-C Triazolopyridazine compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-11-25 CN disclosed
US-5461140-A Bioerodible polymers for solid controlled release pharmaceutical compositions PHARMACEUTICAL DELIVERY SYSTEMS (US) 1995-10-24 US disclosed
CN-1077958-A The preparation of triazolopyridazine compounds, their and purposes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-11-03 CN 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-20160083341-A1 METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE MGMT, GSTA1, CBS CYP4F2 104/4885CYP4A11 298/4885MEN1 3023/4885

“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.