SCHEMBL6745240

SCHEMBL6745240

CCC(=O)N(CC(C)O)CC(C)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 1/20 0.32
ACR P10323 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
FDPS P14324 1/20 0.31
TDP1 Q9NUW8 3/20 0.30
FFAR3 O14843 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4151496 0.82 CA1 (0.52) CA12CA1CA2CA9LMNA
SCHEMBL18523300 0.82 LMNA (0.39) TSHRCA12CA1CA2CA9
SCHEMBL30511388 0.82 CA12 (0.36) TSHRCA12CA1CA2CA9
SCHEMBL21185862 0.81 ACR (0.33) CA12CA1CA2CA9ACR
SCHEMBL20215490 0.80 KMT2A (0.32) KMT2AATM
SCHEMBL20792054 0.80 KMT2A (0.32) KMT2AATM
SCHEMBL12521220 0.80 TDP1 (0.36) TSHRCA12CA1CA2CA9
SCHEMBL8598030 0.78 TSHR (0.35) TSHRKMT2AATMALDH1A1
SCHEMBL487067 0.78 LMNA (0.46) CA12CA1CA2CA9LMNA
SCHEMBL30511373 0.78 LMNA (0.52) CA12CA1CA2CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11717852-B2 Alkali-soluble resin additives and coating compositions including such additives SWIMC LLC (US) 2023-08-08 US disclosed
US-20120172321-A1 HSP90 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
US-8071766-B2 HSP90 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-06 US disclosed
US-20110053873-A1 HSP90 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-03 US disclosed
US-20090305998-A1 HSP90 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US disclosed
EP-1444300-A1 METHOD FOR SOLIDIFICATION OF A LIQUID PAINT COMPONENT DSM IP Assets B.V. (NL) 2004-08-11 EP disclosed
WO-2003025073-A1 METHOD FOR SOLIDIFICATION OF A LIQUID PAINT COMPONENT DSM IP ASSETS B.V. (NL) 2003-03-27 WO disclosed
EP-1295915-A1 Method for solidification of a liquid paint component DSM N.V. (NL) 2003-03-26 EP disclosed
US-4221687-A BASIC INORGANIC SALT, 1,3-DIKETONE, VINYL CHLORIDE POLYMER ARGUS CHEMICAL CORP. (US) 1980-09-09 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-20090305998-A1 HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 TSHR 3921/4885CA12 4769/4885CA1 4587/4885
US-20110053873-A1 HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 TSHR 3945/4885CA12 4782/4885CA1 4548/4885
US-20120172321-A1 HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 TSHR 3921/4885CA12 4769/4885CA1 4587/4885

“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.