SCHEMBL3064345

SCHEMBL3064345

COc1cc(OC)cc(C(=O)N2CCc3cc(O)ccc3C2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
PTGER4 P35408 1/20 0.44
PTGER2 P43116 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43
NOTUM Q6P988 1/20 0.43
LMNA P02545 2/20 0.43
MIF P14174 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41

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
SCHEMBL3054858 0.83 CA2 (0.53) TSHRCA2CA9PTGER4PTGER2
SCHEMBL3054860 0.82 CA2 (0.55) TSHRCA2CA9PTGER4PTGER2
SCHEMBL3051822 0.82 MAOA (0.52) TSHRPTGER4PTGER2LMNAMAOA
SCHEMBL3058995 0.81 ALDH1A1 (0.52) CA2CA9SMN1; SMN2RAB9ALMNA
SCHEMBL3056355 0.76 CA2 (0.52) TSHRCA2CA9PTGER4PTGER2
SCHEMBL3048405 0.75 CA2 (0.58) TSHRCA2CA9PTGER4PTGER2
SCHEMBL3056632 0.75 CA1 (0.58) CA2CA9MEN1KMT2AESR1
SCHEMBL3057016 0.74 CA2 (0.60) TSHRCA2CA9SMN1; SMN2RAB9A
SCHEMBL3051291 0.74 CA2 (0.57) TSHRCA2CA9SMN1; SMN2LMNA
SCHEMBL3050834 0.70 CA2 (0.58) CA2CA9SMN1; SMN2LMNATUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US claimed
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 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-20100222299-A1 COMPOUND MKI67, VHL, MYC TSHR 3652/4885CA2 1077/4885CA9 1002/4885

“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.