SCHEMBL7227329

SCHEMBL7227329

CCCCOc1cc(C)c(NC(=O)CCl)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 1/20 0.46
HSD17B10 Q99714 2/20 0.46
PTPRB P23467 1/20 0.46
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 2/20 0.44
MITF O75030 1/20 0.44
THRB P10828 1/20 0.44
RAB9A P51151 1/20 0.44
MCL1 Q07820 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL7227438 0.94 THRB (0.49) HPGDALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL25619971 0.82 MEN1 (0.57) HPGDALDH1A1LMNASMN1; SMN2POLB
SCHEMBL9808278 0.80 ALDH1A1 (0.55) HPGDALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL11415529 0.77 XIAP (0.52) HPGDALDH1A1SMN1; SMN2POLBHSD17B10
SCHEMBL11414485 0.77 HPGD (0.43) HPGDALDH1A1LMNASMN1; SMN2POLB
SCHEMBL7288606 0.77 GAA (0.63) HPGDALDH1A1POLBHSD17B10KDM4E
SCHEMBL25620024 0.77 MEN1 (0.55) HPGDLMNAHSD17B10PTPRBTHRB
SCHEMBL11384837 0.76 ACAT1 (0.46) ALDH1A1LMNASMN1; SMN2NPC1KDM4E
SCHEMBL9808046 0.76 MRGPRX4 (0.52) HPGDALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL11673838 0.76 HPGD (0.43) HPGDALDH1A1SMN1; SMN2POLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576791-B1 Local anesthetic compounds and uses THERAVANCE, INC. 2003-06-10 US disclosed
US-20030044845-A1 Novel therapeutic agents for membrane transporters THERAVANCE BIOPHARMA R&D IP, LLC 2003-03-06 US disclosed
US-6495681-B1 PRODUCING LOCAL ANESTHESIA OF LONG-DURATION. THE COMPOUNDS OF THIS INVENTION ARE MULTIBINDING COMPOUNDS THAT COMPRISE FROM 2 TO 10 LIGANDS COVALENTLY ATTACHED TO A LINKER OR LINKERS, EACH LIGAND BEING CAPABLE OF BINDING TO A LIGAND BINDING SITE THERAVANCE INC. 2002-12-17 US disclosed
US-6462034-B1 MULTIBINDING COMPOUNDS CONTAINING A SYMETRICAL DIAMINOTETRA-ETHERDODECANE RING WITH TWO SECONDARY AMIDE AND ADDITIONAL SUBSTITUENTS; VOLTAGE GATED SODIUM CHANNEL MODULATORS; LONG DURATION THERAVANCE, INC. 2002-10-08 US disclosed
US-6337423-B1 BIND TO VOLTAGE-GATED SODIUM ION CHANNELS TO MODULATE ACTIVITY ADVANCED MEDICINE, INC. 2002-01-08 US disclosed
WO-1999064045-A9 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS ADVANCED MEDICINE INC (US) 2001-07-05 WO disclosed
CN-1295558-A Novel local anesthetic compounds and uses ADVANCED MEDICINE INC (US) 2001-05-16 CN disclosed
EP-1066245-A4 NOVEL LOCAL ANESTHETIC COMPOUNDS AND USES ADVANCED MEDICINE INC (US) 2001-01-24 EP disclosed
EP-1066245-A1 NOVEL LOCAL ANESTHETIC COMPOUNDS AND USES Advanced Medicine, Inc. (US) 2001-01-10 EP disclosed
WO-1999051565-A9 NOVEL LOCAL ANESTHETIC COMPOUNDS AND USES ADVANCED MEDICINE INC (US) 1999-12-02 WO disclosed
WO-1999051565-A1 NOVEL LOCAL ANESTHETIC COMPOUNDS AND USES ADVANCED MEDICINE, INC. (US) 1999-10-14 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-20030044845-A1 Novel therapeutic agents for membrane transporters SLC47A2, SLC8B1, SLC47A1 HPGD 2570/4885ALDH1A1 2627/4885LMNA 4372/4885

“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.