SCHEMBL7089045

SCHEMBL7089045

CCOc1cc(C(=O)O)ccc1OC(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
POLB P06746 2/20 0.59
CASP6 P55212 1/20 0.59
LMNA P02545 2/20 0.54
RXRA P19793 2/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
KMT2A Q03164 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
TPMT P51580 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MAPK1 P28482 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48

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
SCHEMBL28846281 0.94 TSHR (0.69) TSHRPOLBCASP6LMNARXRA
SCHEMBL3545163 0.87 KMT2A (0.58) TSHRLMNARXRARXRBRXRG
SCHEMBL29882038 0.87 TSHR (0.83) TSHRPOLBCASP6LMNACA12
SCHEMBL177424 0.87 TSHR (0.83) TSHRPOLBCASP6LMNACA12
SCHEMBL7371299 0.86 TSHR (0.63) TSHRPOLBCASP6LMNAKMT2A
SCHEMBL7093941 0.85 ALDH1A1 (0.62) TSHRPOLBKMT2ACA12CA1
SCHEMBL16958801 0.84 POLB (0.45) TSHRPOLBLMNAMAPK1NPC1
SCHEMBL9426701 0.83 TSHR (0.78) TSHRPOLBCASP6LMNACA12
SCHEMBL3612256 0.82 TSHR (0.87) TSHRPOLBCASP6LMNACA12
SCHEMBL1015345 0.82 CA12 (0.73) TSHRLMNAKMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144308-A1 Fructose 1,6-bisphosphatase inhibitors BAUER PAUL H (US) 2003-07-31 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-20030144308-A1 Fructose 1,6-bisphosphatase inhibitors FBP1, HK1, G6PC1 TSHR 4244/4885POLB 3779/4885CASP6 2475/4885

“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.