SCHEMBL6065451

SCHEMBL6065451

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.33
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL730177 0.85 PTPN1 (0.36) THRBTDP1LMNAL3MBTL1TSHR
SCHEMBL535650 0.83
SCHEMBL12895824 0.83
SCHEMBL9569071 0.83 TRPV1 (0.39) TDP1LMNAL3MBTL1KDM4E
SCHEMBL5702392 0.82 LMNA (0.50) TDP1LMNAL3MBTL1TSHRKDM4E
SCHEMBL6706841 0.81 TRPA1 (0.37) THRBTDP1LMNAL3MBTL1TSHR
SCHEMBL10461156 0.80 LMNA (0.59) TDP1LMNAL3MBTL1TSHRKDM4E
SCHEMBL11923038 0.80 LMNA (0.59) TDP1LMNAL3MBTL1TSHRKDM4E
SCHEMBL6058989 0.80 LMNA (0.59) TDP1LMNAL3MBTL1TSHRKDM4E
SCHEMBL13638247 0.80 LMNA (0.59) TDP1LMNAL3MBTL1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018138591-A1 CALICHEAMICIN DERIVATIVES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2018-08-02 WO disclosed
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
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative SHIONOGI & CO., LTD. (JP) 2016-01-28 US disclosed
US-20070025933-A1 Photoprotector and/or photoimmunoprotector compositions of the skin and their uses INDUSTRIAL FARMACEUTICA CANTABRIA, S.A. (ES) 2007-02-01 US disclosed
EP-1273626-B1 Aqueous resin composition, aqueous coating material containing the composition, coating provided by the material, and metal plate coated with the material TOYO BOSEKI (JP) 2006-05-17 EP disclosed
US-6376713-B1 REACTING A DIALCOHOL WITH AMMONIA LONZA AG (CH) 2002-04-23 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 (3 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 THRB 747/4885TDP1 4738/4885LMNA 3635/4885
US-20160024072-A1 Heterocyclic Ring and Carbocyclic Derivative P2RX3, P2RX7, P2RX2 THRB 747/4885TDP1 4738/4885LMNA 3635/4885
US-20070025933-A1 Photoprotector and/or photoimmunoprotector compositions of the skin and their uses ME1, ME2, SI THRB 4627/4885TDP1 1981/4885LMNA 3635/4885

“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.