SCHEMBL4184119

SCHEMBL4184119

c1ccc(COCCOC(CCOCc2ccccc2)COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
KIF11 P52732 1/20 0.38
TSHR P16473 1/20 0.38
CA1 P00915 4/20 0.37
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CHRM3 P20309 4/20 0.34
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
SLC6A2 P23975 1/20 0.34
PDE4A P27815 1/20 0.34
SLC6A4 P31645 1/20 0.34
OPRM1 P35372 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TACR1 P25103 2/20 0.34
CYP2C19 P33261 1/20 0.34
PLA2G2A P14555 2/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G1B P04054 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
SCHEMBL4184115 1.00 NAAA (0.38) NAAAKIF11TSHRCA1CA2
SCHEMBL4192561 0.91 DUT (0.39) NAAAKIF11TSHRCA1CA2
SCHEMBL4192567 0.91 DUT (0.39) NAAAKIF11TSHRCA1CA2
SCHEMBL27182029 0.82 NAAA (0.47) NAAATSHRCA1CA2CA7
SCHEMBL13377805 0.81 CHRM3 (0.42) CA1CA2CHRM3
SCHEMBL13460348 0.81 CHRM3 (0.42) CA1CA2CHRM3
SCHEMBL27032078 0.81 NAAA (0.38) NAAAKIF11TSHRCA1CA2
SCHEMBL27032207 0.81 NAAA (0.38) NAAAKIF11TSHRCA1CA2
SCHEMBL27131883 0.81 NAAA (0.38) NAAAKIF11TSHRCA1CA2
SCHEMBL4186642 0.80 CA1 (0.49) KIF11TSHRCA1CA2CA7

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
EP-1061062-B1 PROCESS FOR PRODUCING BUTANETRIOL DERIVATIVES DAISO CO LTD (JP) 2009-02-18 EP disclosed
US-20040024261-A1 Process for preparing butanetriol derivative DAISO CO., LTD. (JP) 2004-02-05 US disclosed
US-6620977-B1 Reacting 1,2,4-butanetriol in multiple steps with specified reagents using selective protection and deprotection of hydroxyl groups DAISO CO., LTD. (JP) 2003-09-16 US disclosed
EP-1061062-A1 PROCESS FOR PRODUCING BUTANETRIOL DERIVATIVE DAISO CO., LTD. (JP) 2000-12-20 EP 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-20040024261-A1 Process for preparing butanetriol derivative CYP4B1, CYP11B2, CYP11B1 NAAA 3907/4885KIF11 1774/4885TSHR 2183/4885

“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.