SCHEMBL3876644

SCHEMBL3876644

CC(=O)Oc1ccc2c(c1)OCCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 2/20 0.62
NPC1 O15118 2/20 0.62
PKM P14618 2/20 0.62
RAB9A P51151 2/20 0.62
TSHR P16473 2/20 0.55
TRPV1 Q8NER1 1/20 0.55
KDM4E B2RXH2 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 2/20 0.52
CA2 P00918 2/20 0.51
CA5A P35218 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
POLB P06746 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL14959934 0.95 KDM4E (0.61) KMT2AMEN1NPC1PKMRAB9A
SCHEMBL14959931 0.95 KDM4E (0.61) KMT2AMEN1NPC1PKMRAB9A
SCHEMBL1855445 0.91 LMNA (0.62) KMT2AMEN1NPC1PKMRAB9A
SCHEMBL4340762 0.89 TSHR (0.59) KMT2AMEN1NPC1PKMRAB9A
SCHEMBL27854530 0.84 TSHR (0.56) KMT2AMEN1NPC1PKMRAB9A
SCHEMBL6266662 0.83 CA2 (0.61) KMT2AMEN1NPC1PKMRAB9A
SCHEMBL26794002 0.82 LMNA (0.54) KMT2AMEN1NPC1PKMRAB9A
Hydrochloric Acid SCHEMBL23466974 0.82 NPC1 (0.54) KMT2AMEN1NPC1PKMRAB9A
SCHEMBL2900297 0.81 LMNA (0.60) KMT2AMEN1RAB9ATSHRKDM4E
SCHEMBL9479673 0.81 MAPT (0.52) KMT2AMEN1NPC1PKMRAB9A

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
JP-60041671-A None JP disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
EP-1720868-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2006-11-15 EP disclosed
WO-2005077944-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2005-08-25 WO disclosed
US-20050176726-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-08-11 US disclosed
US-6602903-B2 Substituted O- and/or S heterocyclic compounds; powerful ligands for melatoninergic receptors. LES LABORATORIES SERVIER (FR) 2003-08-05 US disclosed
US-20020052400-A1 Substituted heterocyclic compounds ADIR ET COMPAGNIE 2002-05-02 US disclosed
US-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 US disclosed
CN-1023007-C Process for preparing pyrrolidine derivatives PFIZER (US) 1993-12-08 CN disclosed
CN-1045580-A Pyrrolidin derivatives PFIZER (US) 1990-09-26 CN disclosed
CN-1041583-A MUSCARMIC RECEPTOR ANTAGONISTS PFIZER (US) 1990-04-25 CN disclosed
JP-S6041671-A 4,5-ETHYLENEDIOXY-2-NITROPHENOL AND ITS PREPARATION SUMITOMO CHEM CO LTD 1985-03-05 JP 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-20050176726-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 KMT2A 3391/4885MEN1 4515/4885NPC1 3706/4885
US-20020052400-A1 Substituted heterocyclic compounds MTNR1A, MTNR1B, CBR1 KMT2A 936/4885MEN1 1888/4885NPC1 1687/4885

“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.