SCHEMBL29317288

SCHEMBL29317288

Cc1cc(C(=O)OCC(=O)O)cc(C)c1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.40
PTPRB P23467 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL29317372 0.81 ESR1 (0.50) ESR1CA12CA1CA2CA7
SCHEMBL29317277 0.78 MEN1 (0.45) ESR1CA12CA1CA2CA7
SCHEMBL18830679 0.76 MAPT (0.59) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL29317291 0.76 KMT2A (0.53) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL20656245 0.75 ALDH1A1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL2605591 0.74 CA1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL11201167 0.74 KDM4E (0.55) ESR1CA12CA1CA2CA7
SCHEMBL20656251 0.74 RAB9A (0.69) ESR1CA12CA1CA2CA7
SCHEMBL11666158 0.74 SERPINE1 (0.68) ESR1CA12CA1CA2CA7
SCHEMBL23817374 0.74 CA12 (0.50) ESR1CA12CA1CA2CA7

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-20240239833-A1 ALKOXYPHENYL DERIVATIVES, PROTECTED NUCLEOSIDES AND PROTECTED NUCLEOTIDES, METHOD FOR PRODUCING OLIGONUCLEOTIDES, AND METHOD FOR REMOVING SUBSTITUENTS FUJIMOTO CHEMICALS CO., LTD., (JP) 2024-07-18 US disclosed
US-20240239834-A1 ALKOXYPHENYL DERIVATIVES, PROTECTED NUCLEOSIDES AND PROTECTED NUCLEOTIDES, METHOD FOR PRODUCING OLIGONUCLEOTIDES, AND METHOD FOR REMOVING SUBSTITUENTS FUJIMOTO CHEMICALS CO., LTD., (JP) 2024-07-18 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 (2 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-20240239834-A1 ALKOXYPHENYL DERIVATIVES, PROTECTED NUCLEOSIDES AND PROTECTED NUCLEOTIDES, METHOD FOR PRODUCING OLIGONUCLEOTIDES, AND METHOD FOR REMOVING SUBSTITUENTS ROS1, POLN, RNMT ESR1 2466/4885CA12 4725/4885CA1 4647/4885
US-20240239833-A1 ALKOXYPHENYL DERIVATIVES, PROTECTED NUCLEOSIDES AND PROTECTED NUCLEOTIDES, METHOD FOR PRODUCING OLIGONUCLEOTIDES, AND METHOD FOR REMOVING SUBSTITUENTS ROS1, POLN, RNMT ESR1 2466/4885CA12 4725/4885CA1 4647/4885

“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.