SCHEMBL3374024

SCHEMBL3374024

CCc1ccc(C(=O)O)cc1OCCCO

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.51
RARG P13631 3/20 0.51
RARA P10276 2/20 0.51
POLB P06746 1/20 0.49
CASP6 P55212 1/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
PLA2G2D Q9UNK4 1/20 0.47
PTPN11 Q06124 1/20 0.47
TP53 P04637 1/20 0.46
LTB4R Q15722 1/20 0.46
PLA2G4B P0C869 1/20 0.45

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
SCHEMBL27949127 0.88 PLA2G2D (0.56) RARBRARGRARAPOLBCASP6
SCHEMBL2937588 0.86 TSHR (0.51) POLBCASP6TSHRALDH1A1HPGD
SCHEMBL3372247 0.85 CYP4A11 (0.49) RARBRARGRARAPOLBALDH1A1
SCHEMBL25289127 0.83 TSHR (0.68) POLBCASP6TSHRALDH1A1HPGD
SCHEMBL19970628 0.83 POLB (0.70) RARBRARGPOLBCASP6TSHR
SCHEMBL9513077 0.82 ALDH1A1 (0.59) RARBTSHRALDH1A1HPGDPLA2G2D
SCHEMBL3375179 0.81 PLA2G2D (0.51) POLBCASP6TSHRALDH1A1HPGD
SCHEMBL619669 0.81 CA12 (0.67) TSHR
SCHEMBL30622523 0.81 TSHR (0.69) TSHRPLA2G4B
SCHEMBL620892 0.81 TSHR (0.69) TSHRPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 WO disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 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 (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-20080194549-A1 Organic Compounds REN, ACE, OTC RARB 3255/4885RARG 3323/4885RARA 3244/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 RARB 1737/4885RARG 3690/4885RARA 1958/4885

“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.