SCHEMBL9911073

SCHEMBL9911073

Cc1cccc(C2(C(=O)O)CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.52
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
AKR1C1 Q04828 1/20 0.46
CYP2C19 P33261 4/20 0.45
TSHR P16473 3/20 0.45
ICMT O60725 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2C9 P11712 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
CCR2 P41597 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL1561226 0.89 HDAC4 (0.59) HDAC4AKR1C1CYP2C19NPSR1CYP2C9
SCHEMBL19710855 0.86 HDAC4 (0.51) HDAC4ALDH1A1LMNACYP2C19TSHR
SCHEMBL8110741 0.85 HDAC4 (0.65) HDAC4AKR1C1CYP2C19NPSR1CYP2C9
SCHEMBL7822328 0.85 HDAC4 (0.69) HDAC4AKR1C1CYP2C19TSHRNPSR1
SCHEMBL1627580 0.81 AKR1C1 (0.68) ALDH1A1LMNAAKR1C1CYP2C19TSHR
SCHEMBL4501046 0.81 ALDH1A1 (0.48) ALDH1A1LMNAAKR1C1CYP2C19TSHR
SCHEMBL1626768 0.81 ALDH1A1 (0.48) ALDH1A1LMNAAKR1C1CYP2C19TSHR
SCHEMBL1627025 0.81 MEN1 (0.50) ALDH1A1LMNAAKR1C1TSHRICMT
SCHEMBL1626965 0.81 ICMT (0.48) ALDH1A1ICMTRAB9AHCAR2MEN1
SCHEMBL16897539 0.80 LMNA (0.60) ALDH1A1LMNAAKR1C1CYP2C19TSHR

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-8193183-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS INC. (US) 2012-06-05 US disclosed
US-8193183-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS INC. (US) 2012-06-05 US disclosed
US-7517889-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-7517889-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
WO-2008039882-A1 A COMBINATION OF NIACIN AND A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST SANOFI-AVENTIS U.S. LLC (US) 2008-04-03 WO disclosed
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-10-18 US disclosed
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-10-18 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-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 HDAC4 4578/4885ALDH1A1 639/4885LMNA 4577/4885
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 HDAC4 4578/4885ALDH1A1 639/4885LMNA 4577/4885

“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.