SCHEMBL13839699

SCHEMBL13839699

CC(CO)C(O)CC(O)CO

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7591144 0.84 LMNA (0.38) LMNAALDH1A1TDP1TSHRTHRB
SCHEMBL43099 0.80 TSHR (0.44) LMNAALDH1A1TDP1TSHRL3MBTL1
SCHEMBL7150167 0.80 LMNA (0.44) LMNAALDH1A1TDP1TSHRTHRB
SCHEMBL7595607 0.80 LMNA (0.44) LMNAALDH1A1TDP1TSHRTHRB
SCHEMBL5919483 0.80 LMNA (0.44) LMNAALDH1A1TDP1TSHRTHRB
SCHEMBL16074688 0.80 TDP1 (0.50) LMNAALDH1A1TDP1TSHRL3MBTL1
SCHEMBL12938329 0.80 TSHR (0.44) LMNAALDH1A1TDP1TSHRL3MBTL1
SCHEMBL7151040 0.80 LMNA (0.44) LMNAALDH1A1TDP1TSHRTHRB
SCHEMBL7151383 0.80 LMNA (0.44) LMNAALDH1A1TDP1TSHRTHRB
SCHEMBL3223716 0.80 LMNA (0.44) LMNAALDH1A1TDP1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE SHIONOGI & CO (JP) 2017-10-19 US disclosed
US-9550763-B2 Heterocyclic ring and carbocyclic derivative SHIONOGI & CO., LTD. (JP) 2017-01-24 US disclosed
CN-106189878-A Peelable adhesive composition and peelable adhesive tape 奇美实业股份有限公司 2016-12-07 CN disclosed
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative SHIONOGI & CO., LTD. (JP) 2016-01-28 US disclosed
EP-2060255-A2 Methods and compositions for prevention and treatment of inflammatory disease, autoimmune disease, and transplant rejection The Regents Of The University Of California (US) 2009-05-20 EP 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-20170298058-A1 HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE P2RX3, P2RX7, P2RX2 LMNA 3635/4885ALDH1A1 2515/4885TDP1 4738/4885
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative P2RX3, P2RX7, P2RX2 LMNA 3635/4885ALDH1A1 2515/4885TDP1 4738/4885

“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.