SCHEMBL5006514

SCHEMBL5006514

CC(=O)OC(=O)c1ccccc1C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 8/20 0.47
▸ ITGB1 P05556 1/20 0.46
▸ ITGA5 P08648 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.44
▸ LMNA P02545 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HSD17B10 Q99714 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ HMGB1 P09429 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ GGT1 P19440 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ NAPRT Q6XQN6 1/20 0.42

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
SCHEMBL30084385 0.93 TSHR (0.52) TSHRITGB1ITGA5ALDH1A1LMNA
SCHEMBL2778 0.93 TSHR (0.52) TSHRITGB1ITGA5ALDH1A1LMNA
SCHEMBL6383298 0.91 TSHR (0.50) TSHRITGB1ITGA5ALDH1A1LMNA
Acetone SCHEMBL29281281 0.91 TSHR (0.50) TSHRITGB1ITGA5ALDH1A1LMNA
SCHEMBL1896602 0.91 TSHR (0.50) TSHRITGB1ITGA5ALDH1A1LMNA
Acetic Acid SCHEMBL28536661 0.89 TSHR (0.48) TSHRITGB1ITGA5ALDH1A1LMNA
SCHEMBL154741 0.85 ALDH1A1 (0.58) TSHRITGB1ITGA5ALDH1A1LMNA
Phosphoric Acid SCHEMBL28487093 0.85 TSHR (0.46) TSHRITGB1ITGA5ALDH1A1LMNA
SCHEMBL18688239 0.83 TSHR (0.44) TSHRITGB1ITGA5ALDH1A1LMNA
Acetic Acid SCHEMBL28815277 0.83 ALDH1A1 (0.56) TSHRITGB1ITGA5ALDH1A1LMNA

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-20100291181-A1 THERAPEUTIC DEVICES FOR PATTERNED CELL GROWTH RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-18 — — US disclosed
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 — — 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-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS BACE1, BACE2, APP TSHR 4663/4885ITGB1 2336/4885ITGA5 3715/4885
US-20100291181-A1 THERAPEUTIC DEVICES FOR PATTERNED CELL GROWTH MMP1, FGF2, FGF1 TSHR 4012/4885ITGB1 786/4885ITGA5 567/4885

“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.

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