SCHEMBL2375798

SCHEMBL2375798

CC(O)(O)c1ccc(C(C)(O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ESR1 P03372 6/20 0.45
ESR2 Q92731 5/20 0.45
TSHR P16473 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP3A4 P08684 2/20 0.45
LMNA P02545 1/20 0.45
TYR P14679 1/20 0.45
AR P10275 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR6 P50406 1/20 0.45
ESRRG P62508 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC2A1 P11166 1/20 0.39

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
SCHEMBL8007516 0.90 ESR1 (0.60) MEN1KMT2AESR1ESR2TSHR
SCHEMBL20673138 0.87 ESR1 (0.65) MEN1KMT2AESR1ESR2TSHR
SCHEMBL4386412 0.87 TSHR (0.60) MEN1KMT2AESR1ESR2TSHR
SCHEMBL4297794 0.85 MEN1 (0.71) MEN1KMT2ATSHRLMNAHSD11B1
SCHEMBL22928474 0.85 KIF11 (0.48) TSHRALDH1A1
SCHEMBL8071364 0.85 HSD11B1 (0.52) MEN1KMT2ACYP3A4LMNAALDH1A1
SCHEMBL18911463 0.85 CYP2A6 (0.44) MEN1KMT2AESR1ESR2TSHR
SCHEMBL570521 0.83 ESR1 (0.56) KMT2AESR1ESR2TSHRCYP3A4
SCHEMBL12562591 0.81 MEN1 (0.44) MEN1KMT2AESR1ESR2HPGD
SCHEMBL9279490 0.81 CYP2C9 (0.56) KMT2AESR1ESR2CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230343-A1 Method for the Manufacture of Microparticles Comprising an Effect Substance BASF SE (DE) 2011-09-22 US disclosed
EP-1335944-B1 CATALYST SYSTEM, CONTAINING CATALYSTS ENCAPSULATED IN WAX BASF SE (DE) 2008-07-23 EP disclosed
US-20050209353-A1 Method for producing polyurethane foamed materials having an improved long-term stability BASF AKTIENGESELLSCHAFT (DE) 2005-09-22 US disclosed
US-20050004403-A1 Method for producing polyether alcohols BASF AKTIENGESELLSCHAFT (DE) 2005-01-06 US disclosed
EP-1448665-A1 METHOD FOR PRODUCING POLYETHER ALCOHOLS BASF AKTIENGESELLSCHAFT (DE) 2004-08-25 EP disclosed
WO-2003042281-A1 METHOD FOR PRODUCING POLYETHER ALCOHOLS BASF AKTIENGESELLSCHAFT (DE) 2003-05-22 WO 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-20110230343-A1 Method for the Manufacture of Microparticles Comprising an Effect Substance APEH, SMPD4, SMPD1 MEN1 1351/4885KMT2A 3550/4885ESR1 3956/4885

“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.