SCHEMBL6515804

SCHEMBL6515804

C=C(C(=O)O)C(CC(=O)OC)(C(=O)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.41
POLB P06746 2/20 0.41
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 4/20 0.35
TSHR P16473 3/20 0.35
CES1 P23141 1/20 0.35
KDM4E B2RXH2 4/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AKT1 P31749 1/20 0.33
CYP1A2 P05177 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
SCHEMBL6524368 0.88 NPC1 (0.36) POLBCYP2C19ALDH1A1LMNAMEN1
SCHEMBL6518839 0.85 TSHR (0.41) KCNN4POLBCYP2C19HIF1AALDH1A1
SCHEMBL6517368 0.84 CYP19A1 (0.38) CYP2C19HIF1AALDH1A1TSHRKMT2A
SCHEMBL6520254 0.83 CYP2C19 (0.41) KCNN4POLBCYP2C19HIF1AALDH1A1
SCHEMBL11419767 0.83 KCNN4 (0.53) KCNN4POLBCYP2C19HIF1AALDH1A1
SCHEMBL6517058 0.81 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL6523105 0.81 ALDH1A1 (0.40) ALDH1A1LMNAMEN1KMT2A
SCHEMBL6522215 0.78 MAPT (0.41) POLBCYP2C19HIF1AALDH1A1TSHR
SCHEMBL6522162 0.78 KEAP1 (0.38) ALDH1A1LMNA
SCHEMBL6520850 0.78 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2KMT2A

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-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed
US-20030118544-A1 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-06-26 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-20030118544-A1 Antifouling coating composition and novel resin COL1A1, GLRA1, COL2A1 KCNN4 4107/4885POLB 2327/4885CYP2C19 2771/4885

“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.